4-butylcyclohexene-1-carboxylic acid

C11H18O2 — CID 14066826

IUPAC4-butylcyclohexene-1-carboxylic acid
SMILESCCCCC1CC=C(C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyANCPXFBWTKRDEY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds4

About 4-butylcyclohexene-1-carboxylic acid

4-butylcyclohexene-1-carboxylic acid (PubChem CID 14066826) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-butylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-butylcyclohexene-1-carboxylic acid
PubChem CID14066826
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-butylcyclohexene-1-carboxylic acid
SMILESCCCCC1CC=C(C(=O)O)CC1
InChIInChI=1S/C11H18O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyANCPXFBWTKRDEY-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hexylcyclohexene-1-carboxylic acid
CID 3093761
(4S)-4-hexylcyclohexene-1-carboxylate
CID 7452313
3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745512
[4-(4-butylcyclohexen-1-yl)phenyl] butanoate
CID 57232993
(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
CID 130944939
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
(2S)-2-hydroxy-3-[(4S)-4-pentylcyclohexen-1-yl]-1-phenylpropan-1-one
CID 177472539
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
4-(4-butylcyclohexen-1-yl)benzonitrile
CID 575809
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995

Frequently Asked Questions

What is the IUPAC name of 4-butylcyclohexene-1-carboxylic acid?
The IUPAC name of 4-butylcyclohexene-1-carboxylic acid (CID 14066826) is 4-butylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-butylcyclohexene-1-carboxylic acid?
The canonical SMILES for 4-butylcyclohexene-1-carboxylic acid is CCCCC1CC=C(C(=O)O)CC1.
What is the InChIKey of 4-butylcyclohexene-1-carboxylic acid?
The InChIKey is ANCPXFBWTKRDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h7,9H,2-6,8H2,1H3,(H,12,13).
What are the key properties of 4-butylcyclohexene-1-carboxylic acid?
4-butylcyclohexene-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 14066826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).