8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid

C12H18O2 — CID 142889337

IUPAC8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
SMILESCC1CCCC2=C1CC(C(=O)O)CC2
InChIInChI=1S/C12H18O2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyAIUGLTCMSWJBCM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.99
Rot. Bonds1

About 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid

8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (PubChem CID 142889337) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
PubChem CID142889337
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
SMILESCC1CCCC2=C1CC(C(=O)O)CC2
InChIInChI=1S/C12H18O2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyAIUGLTCMSWJBCM-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Dihydroartemisinic acid
CID 11020893
Hymenoic acid
CID 25014973
Monascusic Acid A
CID 60165168
Dihydroartemisinic acid [M+H]+
CID 13919176
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-methyl-
CID 206757
3,4-Dimethyl-cyclohex-3-enecarboxylic acid
CID 11457803
4-(2,6,6-Trimethyl-cyclohex-1-enyl)-butyric acid
CID 606866
5,9-Dimethyldec-8-enoic acid
CID 21612893
2-(1-Cyclohexen-1-yl)hexanoic acid
CID 241595

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CID 142889337) is 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is CC1CCCC2=C1CC(C(=O)O)CC2.
What is the InChIKey of 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The InChIKey is AIUGLTCMSWJBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h8,10H,2-7H2,1H3,(H,13,14).
What are the key properties of 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 142889337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).