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

C14H24O2 — CID 123563318

IUPAC(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(CCC)CC1
InChIInChI=1S/C14H24O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyZGEGVJMGSCJGFE-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds5

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

(4-propylcyclohexyl)methyl 2-methylprop-2-enoate (PubChem CID 123563318) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4-propylcyclohexyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
PubChem CID123563318
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(CCC)CC1
InChIInChI=1S/C14H24O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyZGEGVJMGSCJGFE-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
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-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
[4-(4-propylcyclohexyl)cyclohexyl]methyl 2,2,2-trifluoroacetate
CID 20615200
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
[4-(2-methylprop-2-enoyloxymethyl)cyclohexyl] 2-methyl-3-oxobutanoate
CID 175488467
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
CID 69125498
1-O-ethyl 3-O-[[4-[2-[(4-methylcyclohexyl)methoxycarbonyl]prop-2-enoyloxymethyl]cyclohexyl]methyl] 2-methylidenepropanedioate
CID 130278851

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (4-propylcyclohexyl)methyl 2-methylprop-2-enoate (CID 123563318) is (4-propylcyclohexyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (4-propylcyclohexyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (4-propylcyclohexyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCC(CCC)CC1.
What is the InChIKey of (4-propylcyclohexyl)methyl 2-methylprop-2-enoate?
The InChIKey is ZGEGVJMGSCJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-12-6-8-13(9-7-12)10-16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3.
What are the key properties of (4-propylcyclohexyl)methyl 2-methylprop-2-enoate?
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 123563318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).