5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid

C15H22O3 — CID 14059050

IUPAC5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
SMILESCC1=CCC2(C)CC1C1(C(=O)O)CCC(O)C21C
InChIInChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)
InChIKeyUWZMKQPUYRHXRE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds1

About 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid

5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid (PubChem CID 14059050) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
PubChem CID14059050
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
SMILESCC1=CCC2(C)CC1C1(C(=O)O)CCC(O)C21C
InChIInChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)
InChIKeyUWZMKQPUYRHXRE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 524193
(1R,2R,6S)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 6427471
(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 55268536
1,4-dimethyl-5-(3-methylbut-2-enyl)cyclohex-3-ene-1-carboxylic acid
CID 23138081
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 10953589
(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185
(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
CID 5315464
propan-2-one;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 67218541
(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 55277258
6-hydroxy-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylic acid
CID 138732325
(1S,3aS,8aS)-4,8a-dimethyl-2,3,3a,8-tetrahydro-1H-azulen-1-ol
CID 131042212

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid (CID 14059050) is 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid is CC1=CCC2(C)CC1C1(C(=O)O)CCC(O)C21C.
What is the InChIKey of 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
The InChIKey is UWZMKQPUYRHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18).
What are the key properties of 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid?
5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid is sourced from PubChem (CID 14059050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).