(4-methylcyclohexyl)methyl 2-methylprop-2-enoate

C12H20O2 — CID 22737447

IUPAC(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(C)CC1
InChIInChI=1S/C12H20O2/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h10-11H,1,4-8H2,2-3H3
InChIKeyHUSXFEGZYOQULY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds3

About (4-methylcyclohexyl)methyl 2-methylprop-2-enoate

(4-methylcyclohexyl)methyl 2-methylprop-2-enoate (PubChem CID 22737447) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-methylcyclohexyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
PubChem CID22737447
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(C)CC1
InChIInChI=1S/C12H20O2/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h10-11H,1,4-8H2,2-3H3
InChIKeyHUSXFEGZYOQULY-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588
1-O-ethyl 3-O-[[4-[2-[(4-methylcyclohexyl)methoxycarbonyl]prop-2-enoyloxymethyl]cyclohexyl]methyl] 2-methylidenepropanedioate
CID 130278851
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
[4-(2-methylprop-2-enoyloxymethyl)cyclohexyl] 2-methyl-3-oxobutanoate
CID 175488467
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (4-methylcyclohexyl)methyl 2-methylprop-2-enoate (CID 22737447) is (4-methylcyclohexyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (4-methylcyclohexyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (4-methylcyclohexyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexyl)methyl 2-methylprop-2-enoate?
The InChIKey is HUSXFEGZYOQULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h10-11H,1,4-8H2,2-3H3.
What are the key properties of (4-methylcyclohexyl)methyl 2-methylprop-2-enoate?
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 22737447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).