2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H26O2 — CID 81021482

IUPAC2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17)
InChIKeyWVCRWQBCVXQPDZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81021482) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81021482
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17)
InChIKeyWVCRWQBCVXQPDZ-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.12
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

Artemisinic Acid
CID 10922465
Dihydroartemisinic acid
CID 11020893
Costic acid
CID 6451579
Hymenoic acid
CID 25014973
2-(4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)prop-2-enoic acid
CID 578305
Dihydroperillic acid
CID 381256
2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
CID 12304100
Heptaketide
CID 11139123
2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
CID 124033
Dihydroartemisinate
CID 25245484
2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
CID 91746573
Dihydroartemisinic acid [M+H]+
CID 13919176

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81021482) is 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is C=C(CC)CC1CC(C(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is WVCRWQBCVXQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).