(4-butylcyclohexyl) 2-methylprop-2-enoate

C14H24O2 — CID 19083728

IUPAC(4-butylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-4-5-6-12-7-9-13(10-8-12)16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyKGHLETQCOQYUFR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds5

About (4-butylcyclohexyl) 2-methylprop-2-enoate

(4-butylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 19083728) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4-butylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-butylcyclohexyl) 2-methylprop-2-enoate
PubChem CID19083728
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4-butylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-4-5-6-12-7-9-13(10-8-12)16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3
InChIKeyKGHLETQCOQYUFR-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
CID 158898607
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
[4-(4-butylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CID 71130129
[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
CID 140827405
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527
(4-pentylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334769

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (4-butylcyclohexyl) 2-methylprop-2-enoate (CID 19083728) is (4-butylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-butylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-butylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(CCCC)CC1.
What is the InChIKey of (4-butylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is KGHLETQCOQYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-12-7-9-13(10-8-12)16-14(15)11(2)3/h12-13H,2,4-10H2,1,3H3.
What are the key properties of (4-butylcyclohexyl) 2-methylprop-2-enoate?
(4-butylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 19083728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).