[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate

C20H34O4 — CID 71388892

IUPAC[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
SMILESC=C(C)C(=O)OC1CCCCC1OC(=O)CCCCCCCCC
InChIInChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-15-19(21)23-17-13-11-12-14-18(17)24-20(22)16(2)3/h17-18H,2,4-15H2,1,3H3
InChIKeyMOTYONNGYWLRMB-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.10
Rot. Bonds11

About [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate

[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate (PubChem CID 71388892) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
PubChem CID71388892
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
SMILESC=C(C)C(=O)OC1CCCCC1OC(=O)CCCCCCCCC
InChIInChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-15-19(21)23-17-13-11-12-14-18(17)24-20(22)16(2)3/h17-18H,2,4-15H2,1,3H3
InChIKeyMOTYONNGYWLRMB-UHFFFAOYSA-N
XLogP5.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2-methoxycyclohexyl) hexanoate
CID 78887524
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
[(1R,2R)-2-hydroxycyclohexyl] decanoate
CID 122221487
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl nonadecanoate
CID 57264778
2-bicyclo[4.3.2]undecanyl hexadecanoate
CID 90762696
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl] heptanoate
CID 125473381
cyclobutyl pentadecanoate
CID 46229794
cyclopropyl decanoate
CID 154321154
1-O-heptadecyl 6-O-(2-methylcyclohexyl) hexanedioate
CID 91713389
2-methylprop-2-enoyl dodecanoate;zinc
CID 175007259
2-methylprop-2-enoyl decanoate;zinc
CID 174880295

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate (CID 71388892) is [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate is C=C(C)C(=O)OC1CCCCC1OC(=O)CCCCCCCCC.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate?
The InChIKey is MOTYONNGYWLRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-15-19(21)23-17-13-11-12-14-18(17)24-20(22)16(2)3/h17-18H,2,4-15H2,1,3H3.
What are the key properties of [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate?
[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate has a molecular weight of 338.49 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate is sourced from PubChem (CID 71388892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).