(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid

C15H22O3 — CID 14108443

IUPAC(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
SMILESCC1=C2C[C@@](C)(C(=O)O)C[C@H]2C[C@]2(C)CC[C@]12O
InChIInChI=1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3)4-5-15(9,14)18/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-,15-/m0/s1
InChIKeyPQUVTIVCCBHWFH-HJPIBITLSA-N
MW250.34 g/mol
LogP2.74
Rot. Bonds1

About (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid

(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid (PubChem CID 14108443) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid.

Molecular Properties

Compound Name(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
PubChem CID14108443
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid
SMILESCC1=C2C[C@@](C)(C(=O)O)C[C@H]2C[C@]2(C)CC[C@]12O
InChIInChI=1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3)4-5-15(9,14)18/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-,15-/m0/s1
InChIKeyPQUVTIVCCBHWFH-HJPIBITLSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid 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 (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid?
The IUPAC name of (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid (CID 14108443) is (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid.
What is the SMILES notation for (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid?
The canonical SMILES for (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid is CC1=C2C[C@@](C)(C(=O)O)C[C@H]2C[C@]2(C)CC[C@]12O.
What is the InChIKey of (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid?
The InChIKey is PQUVTIVCCBHWFH-HJPIBITLSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3)4-5-15(9,14)18/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-,15-/m0/s1.
What are the key properties of (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid?
(3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,8R,10S)-3-hydroxy-2,6,10-trimethyltricyclo[6.3.0.03,6]undec-1-ene-10-carboxylic acid is sourced from PubChem (CID 14108443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).