(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol

C15H24O — CID 14218181

IUPAC(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol
SMILESC=C1[C@H]2C[C@@](C)(C[C@@H]1O)[C@@]1(C)CCC[C@@]21C
InChIInChI=1S/C15H24O/c1-10-11-8-13(2,9-12(10)16)15(4)7-5-6-14(11,15)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-/m1/s1
InChIKeyDDWYCTLZQKRVQC-CAEXGNQWSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol

(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol (PubChem CID 14218181) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol.

Molecular Properties

Compound Name(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol
PubChem CID14218181
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol
SMILESC=C1[C@H]2C[C@@](C)(C[C@@H]1O)[C@@]1(C)CCC[C@@]21C
InChIInChI=1S/C15H24O/c1-10-11-8-13(2,9-12(10)16)15(4)7-5-6-14(11,15)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-/m1/s1
InChIKeyDDWYCTLZQKRVQC-CAEXGNQWSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol?
The IUPAC name of (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol (CID 14218181) is (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol.
What is the SMILES notation for (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol?
The canonical SMILES for (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol is C=C1[C@H]2C[C@@](C)(C[C@@H]1O)[C@@]1(C)CCC[C@@]21C.
What is the InChIKey of (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol?
The InChIKey is DDWYCTLZQKRVQC-CAEXGNQWSA-N. The full InChI is InChI=1S/C15H24O/c1-10-11-8-13(2,9-12(10)16)15(4)7-5-6-14(11,15)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-/m1/s1.
What are the key properties of (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol?
(1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7S,9S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-ol is sourced from PubChem (CID 14218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).