2-chloro-4-cyclohexylbut-2-enoic acid

C10H15ClO2 — CID 141067789

IUPAC2-chloro-4-cyclohexylbut-2-enoic acid
SMILESO=C(O)C(Cl)=CCC1CCCCC1
InChIInChI=1S/C10H15ClO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13)
InChIKeyBOLMPXAYJYVVEX-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-4-cyclohexylbut-2-enoic acid

2-chloro-4-cyclohexylbut-2-enoic acid (PubChem CID 141067789) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-chloro-4-cyclohexylbut-2-enoic acid.

Molecular Properties

Compound Name2-chloro-4-cyclohexylbut-2-enoic acid
PubChem CID141067789
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name2-chloro-4-cyclohexylbut-2-enoic acid
SMILESO=C(O)C(Cl)=CCC1CCCCC1
InChIInChI=1S/C10H15ClO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13)
InChIKeyBOLMPXAYJYVVEX-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.16
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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Related Compounds

(2E)-3-cyclohexylprop-2-enoic acid
CID 5382614
3-Cyclohexylacrylic acid
CID 287348
(E)-3-cyclohexyl-2-fluoroprop-2-enoic acid
CID 99880167
3-Cyclohexyl-2-fluoroprop-2-enoic acid
CID 11423845
2-Hexenoic acid, 6-cyclohexyl-
CID 5367614
CID 72956278
CID 72956278
(Z)-2-chloro-3-cyclohexylprop-2-enoic acid
CID 87817392
6-Cyclohexyl-2-hexenoic acid
CID 557203
4-Cyclohexylbut-2-enoic acid
CID 11275237
(2E)-5-cyclohexylpent-2-enoic acid
CID 22665082
CID 54201701
CID 54201701
5-Cyclohexylpent-2-enoic acid
CID 69418887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexylbut-2-enoic acid?
The IUPAC name of 2-chloro-4-cyclohexylbut-2-enoic acid (CID 141067789) is 2-chloro-4-cyclohexylbut-2-enoic acid.
What is the SMILES notation for 2-chloro-4-cyclohexylbut-2-enoic acid?
The canonical SMILES for 2-chloro-4-cyclohexylbut-2-enoic acid is O=C(O)C(Cl)=CCC1CCCCC1.
What is the InChIKey of 2-chloro-4-cyclohexylbut-2-enoic acid?
The InChIKey is BOLMPXAYJYVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,12,13).
What are the key properties of 2-chloro-4-cyclohexylbut-2-enoic acid?
2-chloro-4-cyclohexylbut-2-enoic acid has a molecular weight of 202.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexylbut-2-enoic acid is sourced from PubChem (CID 141067789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).