(4-nonylcyclohexyl) 2-methylprop-2-enoate

C19H34O2 — CID 141237341

IUPAC(4-nonylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CCCCCCCCC)CC1
InChIInChI=1S/C19H34O2/c1-4-5-6-7-8-9-10-11-17-12-14-18(15-13-17)21-19(20)16(2)3/h17-18H,2,4-15H2,1,3H3
InChIKeyQTATYKGSQGNCHB-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.81
Rot. Bonds10

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

(4-nonylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 141237341) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4-nonylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-nonylcyclohexyl) 2-methylprop-2-enoate
PubChem CID141237341
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(4-nonylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(CCCCCCCCC)CC1
InChIInChI=1S/C19H34O2/c1-4-5-6-7-8-9-10-11-17-12-14-18(15-13-17)21-19(20)16(2)3/h17-18H,2,4-15H2,1,3H3
InChIKeyQTATYKGSQGNCHB-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
CID 158898607
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
CID 140827405
ethyl [4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70479320
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527
(4-pentylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334769
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
[4-(4-butylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CID 71130129

Frequently Asked Questions

What is the IUPAC name of (4-nonylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (4-nonylcyclohexyl) 2-methylprop-2-enoate (CID 141237341) is (4-nonylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-nonylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-nonylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(CCCCCCCCC)CC1.
What is the InChIKey of (4-nonylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is QTATYKGSQGNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-4-5-6-7-8-9-10-11-17-12-14-18(15-13-17)21-19(20)16(2)3/h17-18H,2,4-15H2,1,3H3.
What are the key properties of (4-nonylcyclohexyl) 2-methylprop-2-enoate?
(4-nonylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 294.48 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 141237341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).