(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one

C15H22O2 — CID 166445610

IUPAC(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one
SMILESC=C1[C@]23CC(C)(C)C[C@@H]2[C@H](O)[C@@]1(C)CCC3=O
InChIInChI=1S/C15H22O2/c1-9-14(4)6-5-11(16)15(9)8-13(2,3)7-10(15)12(14)17/h10,12,17H,1,5-8H2,2-4H3/t10-,12+,14+,15-/m1/s1
InChIKeyKXWGEESRNXMYKI-UEEZHKSASA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one

(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one (PubChem CID 166445610) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one.

Molecular Properties

Compound Name(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one
PubChem CID166445610
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one
SMILESC=C1[C@]23CC(C)(C)C[C@@H]2[C@H](O)[C@@]1(C)CCC3=O
InChIInChI=1S/C15H22O2/c1-9-14(4)6-5-11(16)15(9)8-13(2,3)7-10(15)12(14)17/h10,12,17H,1,5-8H2,2-4H3/t10-,12+,14+,15-/m1/s1
InChIKeyKXWGEESRNXMYKI-UEEZHKSASA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one with MolForge

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Related Compounds

Phellibarin D
CID 132541486
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CID 172447333
(1R,7S,10S)-10-hydroxy-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecan-6-one
CID 172458973
(1R,7R)-7-(hydroxymethyl)-3,3-dimethyl-8-methylidenetricyclo[5.4.0.02,9]undecan-10-one
CID 172463918
(1R,4S,5R,7S)-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 10559654
(1R,4R,5R,7S)-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 10607770
(1R,4S,5R,7S,11R)-11-butyl-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 10610583
(1R,4R,5S,7S,11R)-11-butyl-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 10890273
(3aS,4R,6aR)-4-hydroxy-5,5-dimethyl-6a-prop-2-enyl-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 14047122
(1R,4R,5R,7S,11R)-11-butyl-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 15484601
4-Hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 85185714
11-Butyl-4-hydroxy-6-methylidenetricyclo[5.3.1.01,5]undecan-10-one
CID 85204880

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one?
The IUPAC name of (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one (CID 166445610) is (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one.
What is the SMILES notation for (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one?
The canonical SMILES for (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one is C=C1[C@]23CC(C)(C)C[C@@H]2[C@H](O)[C@@]1(C)CCC3=O.
What is the InChIKey of (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one?
The InChIKey is KXWGEESRNXMYKI-UEEZHKSASA-N. The full InChI is InChI=1S/C15H22O2/c1-9-14(4)6-5-11(16)15(9)8-13(2,3)7-10(15)12(14)17/h10,12,17H,1,5-8H2,2-4H3/t10-,12+,14+,15-/m1/s1.
What are the key properties of (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one?
(1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S,7S)-6-hydroxy-3,3,7-trimethyl-11-methylidenetricyclo[5.3.1.01,5]undecan-10-one is sourced from PubChem (CID 166445610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).