(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid

C14H24O2 — CID 20611019

IUPAC(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C14H24O2/c1-10(13(15)16)9-11-5-7-12(8-6-11)14(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,15,16)/b10-9-
InChIKeyICVCLHKSQJDEAA-KTKRTIGZSA-N
MW224.34 g/mol
LogP3.87
Rot. Bonds2

About (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid

(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid (PubChem CID 20611019) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
PubChem CID20611019
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
SMILESC/C(=C/C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C14H24O2/c1-10(13(15)16)9-11-5-7-12(8-6-11)14(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,15,16)/b10-9-
InChIKeyICVCLHKSQJDEAA-KTKRTIGZSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.87
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-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid (CID 20611019) is (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid is C/C(=C/C1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid?
The InChIKey is ICVCLHKSQJDEAA-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(13(15)16)9-11-5-7-12(8-6-11)14(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,15,16)/b10-9-.
What are the key properties of (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid?
(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid has a molecular weight of 224.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 20611019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).