2-cyclohexylbut-2-enoic acid

C10H16O2 — CID 67419349

IUPAC2-cyclohexylbut-2-enoic acid
SMILESCC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3,(H,11,12)
InChIKeyZVSYQDMZYPEEGJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About 2-cyclohexylbut-2-enoic acid

2-cyclohexylbut-2-enoic acid (PubChem CID 67419349) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyclohexylbut-2-enoic acid.

Molecular Properties

Compound Name2-cyclohexylbut-2-enoic acid
PubChem CID67419349
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-cyclohexylbut-2-enoic acid
SMILESCC=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3,(H,11,12)
InChIKeyZVSYQDMZYPEEGJ-UHFFFAOYSA-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 2-cyclohexylbut-2-enoic acid?
The IUPAC name of 2-cyclohexylbut-2-enoic acid (CID 67419349) is 2-cyclohexylbut-2-enoic acid.
What is the SMILES notation for 2-cyclohexylbut-2-enoic acid?
The canonical SMILES for 2-cyclohexylbut-2-enoic acid is CC=C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbut-2-enoic acid?
The InChIKey is ZVSYQDMZYPEEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3,(H,11,12).
What are the key properties of 2-cyclohexylbut-2-enoic acid?
2-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 2-cyclohexylbut-2-enoic acid is sourced from PubChem (CID 67419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).