(Z)-3-cyclohexyl-2-methylbut-2-enoic acid

C11H18O2 — CID 23198239

IUPAC(Z)-3-cyclohexyl-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13)/b9-8-
InChIKeyLFOGBLOVMNRFTQ-HJWRWDBZSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds2

About (Z)-3-cyclohexyl-2-methylbut-2-enoic acid

(Z)-3-cyclohexyl-2-methylbut-2-enoic acid (PubChem CID 23198239) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (Z)-3-cyclohexyl-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexyl-2-methylbut-2-enoic acid
PubChem CID23198239
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(Z)-3-cyclohexyl-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13)/b9-8-
InChIKeyLFOGBLOVMNRFTQ-HJWRWDBZSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.99
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 (Z)-3-cyclohexyl-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexyl-2-methylbut-2-enoic acid (CID 23198239) is (Z)-3-cyclohexyl-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexyl-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexyl-2-methylbut-2-enoic acid is C/C(C(=O)O)=C(\C)C1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexyl-2-methylbut-2-enoic acid?
The InChIKey is LFOGBLOVMNRFTQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-3-cyclohexyl-2-methylbut-2-enoic acid?
(Z)-3-cyclohexyl-2-methylbut-2-enoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyl-2-methylbut-2-enoic acid is sourced from PubChem (CID 23198239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).