3-(4-pentylcyclohexyl)prop-2-enoic acid

C14H24O2 — CID 54567282

IUPAC3-(4-pentylcyclohexyl)prop-2-enoic acid
SMILESCCCCCC1CCC(C=CC(=O)O)CC1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyZUSRJRQHVWALGM-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.01
Rot. Bonds6

About 3-(4-pentylcyclohexyl)prop-2-enoic acid

3-(4-pentylcyclohexyl)prop-2-enoic acid (PubChem CID 54567282) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(4-pentylcyclohexyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-pentylcyclohexyl)prop-2-enoic acid
PubChem CID54567282
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(4-pentylcyclohexyl)prop-2-enoic acid
SMILESCCCCCC1CCC(C=CC(=O)O)CC1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)
InChIKeyZUSRJRQHVWALGM-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-butylcyclohexyl)prop-2-enoic acid
CID 156501265
hexane;pentylcyclopropane
CID 159592467
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
6-[4-(4-heptylcyclohexyl)cyclohexyl]hexa-2,4-dienoic acid
CID 54470723
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
ethyl 4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexane-1-carboxylate
CID 139659711
1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
CID 67946262

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentylcyclohexyl)prop-2-enoic acid?
The IUPAC name of 3-(4-pentylcyclohexyl)prop-2-enoic acid (CID 54567282) is 3-(4-pentylcyclohexyl)prop-2-enoic acid.
What is the SMILES notation for 3-(4-pentylcyclohexyl)prop-2-enoic acid?
The canonical SMILES for 3-(4-pentylcyclohexyl)prop-2-enoic acid is CCCCCC1CCC(C=CC(=O)O)CC1.
What is the InChIKey of 3-(4-pentylcyclohexyl)prop-2-enoic acid?
The InChIKey is ZUSRJRQHVWALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14(15)16/h10-13H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-(4-pentylcyclohexyl)prop-2-enoic acid?
3-(4-pentylcyclohexyl)prop-2-enoic acid has a molecular weight of 224.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylcyclohexyl)prop-2-enoic acid is sourced from PubChem (CID 54567282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).