3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid

C19H32O2 — CID 67084322

IUPAC3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid
SMILESCC(=CC1CCC(C(C)(C)C2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C19H32O2/c1-14(18(20)21)13-15-9-11-17(12-10-15)19(2,3)16-7-5-4-6-8-16/h13,15-17H,4-12H2,1-3H3,(H,20,21)
InChIKeyVZXMYKDFYWQUSO-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.43
Rot. Bonds4

About 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid

3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid (PubChem CID 67084322) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid
PubChem CID67084322
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid
SMILESCC(=CC1CCC(C(C)(C)C2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C19H32O2/c1-14(18(20)21)13-15-9-11-17(12-10-15)19(2,3)16-7-5-4-6-8-16/h13,15-17H,4-12H2,1-3H3,(H,20,21)
InChIKeyVZXMYKDFYWQUSO-UHFFFAOYSA-N
XLogP5.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.43
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 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid (CID 67084322) is 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid is CC(=CC1CCC(C(C)(C)C2CCCCC2)CC1)C(=O)O.
What is the InChIKey of 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid?
The InChIKey is VZXMYKDFYWQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-14(18(20)21)13-15-9-11-17(12-10-15)19(2,3)16-7-5-4-6-8-16/h13,15-17H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid?
3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid has a molecular weight of 292.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 67084322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).