(E)-3-cyclohexylbut-2-enoic acid

C10H16O2 — CID 6537440

IUPAC(E)-3-cyclohexylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7+
InChIKeyWVRIPRILKKOIQL-BQYQJAHWSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About (E)-3-cyclohexylbut-2-enoic acid

(E)-3-cyclohexylbut-2-enoic acid (PubChem CID 6537440) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-3-cyclohexylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclohexylbut-2-enoic acid
PubChem CID6537440
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-3-cyclohexylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7+
InChIKeyWVRIPRILKKOIQL-BQYQJAHWSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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)-3-cyclohexylbut-2-enoic acid?
The IUPAC name of (E)-3-cyclohexylbut-2-enoic acid (CID 6537440) is (E)-3-cyclohexylbut-2-enoic acid.
What is the SMILES notation for (E)-3-cyclohexylbut-2-enoic acid?
The canonical SMILES for (E)-3-cyclohexylbut-2-enoic acid is C/C(=C\C(=O)O)C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexylbut-2-enoic acid?
The InChIKey is WVRIPRILKKOIQL-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7+.
What are the key properties of (E)-3-cyclohexylbut-2-enoic acid?
(E)-3-cyclohexylbut-2-enoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexylbut-2-enoic acid is sourced from PubChem (CID 6537440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).