6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid

C15H22O3 — CID 73172464

IUPAC6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
SMILESCC1(CO)CC2(C)CC=CC23C(C(=O)O)CCC13
InChIInChI=1S/C15H22O3/c1-13(9-16)8-14(2)6-3-7-15(14)10(12(17)18)4-5-11(13)15/h3,7,10-11,16H,4-6,8-9H2,1-2H3,(H,17,18)
InChIKeyIMZVTBUONKOJNP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.45
Rot. Bonds2

About 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid

6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid (PubChem CID 73172464) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
PubChem CID73172464
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
SMILESCC1(CO)CC2(C)CC=CC23C(C(=O)O)CCC13
InChIInChI=1S/C15H22O3/c1-13(9-16)8-14(2)6-3-7-15(14)10(12(17)18)4-5-11(13)15/h3,7,10-11,16H,4-6,8-9H2,1-2H3,(H,17,18)
InChIKeyIMZVTBUONKOJNP-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.45
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

12-Hydroxysilphinene-15-oic acid
CID 44559172
Spirograterpene A
CID 139589750
methyl (1R,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 15479093
Silphinene-15-oate
CID 170835690
Flammulinol A
CID 101569461
Phomalairdenone D
CID 139585417
Penarine C
CID 156580350
Penarine A
CID 156580377
Penarine B
CID 156580394
methyl (1S,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 162960156
(1S,2S,5R,8R,9S)-2,5,9-trimethyltricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
CID 163185071
Hirsutuminoid A
CID 170989693

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid (CID 73172464) is 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid is CC1(CO)CC2(C)CC=CC23C(C(=O)O)CCC13.
What is the InChIKey of 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The InChIKey is IMZVTBUONKOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13(9-16)8-14(2)6-3-7-15(14)10(12(17)18)4-5-11(13)15/h3,7,10-11,16H,4-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6,8-dimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid is sourced from PubChem (CID 73172464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).