(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one

C14H22O2 — CID 71524146

IUPAC(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
SMILESCC1(C)CC[C@@H](O)[C@]2(C)C(=O)[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C14H22O2/c1-13(2)7-6-10(15)14(3)9-5-4-8(11(9)13)12(14)16/h8-11,15H,4-7H2,1-3H3/t8-,9+,10+,11-,14+/m0/s1
InChIKeyRHPIARQBSTZNCU-FPFACLPRSA-N
MW222.33 g/mol
LogP2.40
Rot. Bonds

About (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one

(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one (PubChem CID 71524146) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one.

Molecular Properties

Compound Name(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
PubChem CID71524146
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
SMILESCC1(C)CC[C@@H](O)[C@]2(C)C(=O)[C@H]3CC[C@@H]2[C@H]31
InChIInChI=1S/C14H22O2/c1-13(2)7-6-10(15)14(3)9-5-4-8(11(9)13)12(14)16/h8-11,15H,4-7H2,1-3H3/t8-,9+,10+,11-,14+/m0/s1
InChIKeyRHPIARQBSTZNCU-FPFACLPRSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one?
The IUPAC name of (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one (CID 71524146) is (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one.
What is the SMILES notation for (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one?
The canonical SMILES for (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one is CC1(C)CC[C@@H](O)[C@]2(C)C(=O)[C@H]3CC[C@@H]2[C@H]31.
What is the InChIKey of (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one?
The InChIKey is RHPIARQBSTZNCU-FPFACLPRSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2)7-6-10(15)14(3)9-5-4-8(11(9)13)12(14)16/h8-11,15H,4-7H2,1-3H3/t8-,9+,10+,11-,14+/m0/s1.
What are the key properties of (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one?
(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one has a molecular weight of 222.33 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one is sourced from PubChem (CID 71524146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).