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Home > Other Heterocycles > 88802-81-7
88802-81-7 | Spiro[5.5]undec-8-ene-1-methanol, 5,5,9-trimethyl-
CAS No: 88802-81-7 Catalog No: AG004CKA MDL No:
Product Description
Catalog Number:
AG004CKA
Chemical Name:
Spiro[5.5]undec-8-ene-1-methanol, 5,5,9-trimethyl-
CAS Number:
88802-81-7
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
(5,5,9-trimethylspiro[5.5]undec-9-en-1-yl)methanol
InChI:
InChI=1S/C15H26O/c1-12-6-9-15(10-7-12)13(11-16)5-4-8-14(15,2)3/h6,13,16H,4-5,7-11H2,1-3H3
InChI Key:
NGMQSRDIKSIVIW-UHFFFAOYSA-N
SMILES:
OCC1CCCC(C21CCC(=CC2)C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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