[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate

C16H24O4 — CID 18956888

IUPAC[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCCC1COC(=O)C(=C)C
InChIInChI=1S/C16H24O4/c1-11(2)15(17)19-9-13-7-5-6-8-14(13)10-20-16(18)12(3)4/h13-14H,1,3,5-10H2,2,4H3
InChIKeyIZGVPVZEVXSLEB-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.03
Rot. Bonds6

About [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate (PubChem CID 18956888) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
PubChem CID18956888
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCCC1COC(=O)C(=C)C
InChIInChI=1S/C16H24O4/c1-11(2)15(17)19-9-13-7-5-6-8-14(13)10-20-16(18)12(3)4/h13-14H,1,3,5-10H2,2,4H3
InChIKeyIZGVPVZEVXSLEB-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
CID 124871600
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
CID 3051930
(5-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 2-methylprop-2-enoate bromide
CID 10020488
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
CID 142509659
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate
CID 89204886
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate (CID 18956888) is [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCCC1COC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The InChIKey is IZGVPVZEVXSLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-11(2)15(17)19-9-13-7-5-6-8-14(13)10-20-16(18)12(3)4/h13-14H,1,3,5-10H2,2,4H3.
What are the key properties of [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate has a molecular weight of 280.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 18956888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).