(E)-4-cyclohexylbut-2-enoic acid

C10H16O2 — CID 11275237

IUPAC(E)-4-cyclohexylbut-2-enoic acid
SMILESO=C(O)/C=C/CC1CCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,12)/b8-4+
InChIKeyPPSDGXANLYFVET-XBXARRHUSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds3

About (E)-4-cyclohexylbut-2-enoic acid

(E)-4-cyclohexylbut-2-enoic acid (PubChem CID 11275237) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-4-cyclohexylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-cyclohexylbut-2-enoic acid
PubChem CID11275237
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-4-cyclohexylbut-2-enoic acid
SMILESO=C(O)/C=C/CC1CCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,12)/b8-4+
InChIKeyPPSDGXANLYFVET-XBXARRHUSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohexylbut-2-enoic acid?
The IUPAC name of (E)-4-cyclohexylbut-2-enoic acid (CID 11275237) is (E)-4-cyclohexylbut-2-enoic acid.
What is the SMILES notation for (E)-4-cyclohexylbut-2-enoic acid?
The canonical SMILES for (E)-4-cyclohexylbut-2-enoic acid is O=C(O)/C=C/CC1CCCCC1.
What is the InChIKey of (E)-4-cyclohexylbut-2-enoic acid?
The InChIKey is PPSDGXANLYFVET-XBXARRHUSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,12)/b8-4+.
What are the key properties of (E)-4-cyclohexylbut-2-enoic acid?
(E)-4-cyclohexylbut-2-enoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexylbut-2-enoic acid is sourced from PubChem (CID 11275237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).