[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate

C19H30O5 — CID 142290197

IUPAC[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(OC(=O)CC2CCCCC2)C(O)C1
InChIInChI=1S/C19H30O5/c1-13(2)19(22)23-12-15-8-9-17(16(20)10-15)24-18(21)11-14-6-4-3-5-7-14/h14-17,20H,1,3-12H2,2H3
InChIKeyYPFFRDSFKSCXAS-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.15
Rot. Bonds6

About [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate

[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate (PubChem CID 142290197) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate
PubChem CID142290197
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC(OC(=O)CC2CCCCC2)C(O)C1
InChIInChI=1S/C19H30O5/c1-13(2)19(22)23-12-15-8-9-17(16(20)10-15)24-18(21)11-14-6-4-3-5-7-14/h14-17,20H,1,3-12H2,2H3
InChIKeyYPFFRDSFKSCXAS-UHFFFAOYSA-N
XLogP3.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-4-(2-methylprop-2-enoyloxy)cyclohexyl]methyl 2-methylprop-2-enoate;3-methylbut-3-en-2-one
CID 158251874
[3-hydroxy-4-[4-(trifluoromethoxy)phenoxy]cyclohexyl]methyl 2-methylprop-2-enoate
CID 177277238
[3-hydroxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl]methyl 2-methylprop-2-enoate
CID 142290202
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 139968266
prop-1-en-2-yl 2-cyclohexylacetate
CID 57350090
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
[2-hydroxy-4-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]cyclohexyl] 2-methylprop-2-enoate
CID 54265207
[2-hydroxy-4-(prop-2-enoyloxymethyl)cyclohexyl] 2-methylpropanoate
CID 167019590

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate (CID 142290197) is [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCC(OC(=O)CC2CCCCC2)C(O)C1.
What is the InChIKey of [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate?
The InChIKey is YPFFRDSFKSCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-13(2)19(22)23-12-15-8-9-17(16(20)10-15)24-18(21)11-14-6-4-3-5-7-14/h14-17,20H,1,3-12H2,2H3.
What are the key properties of [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate?
[4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate has a molecular weight of 338.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylacetyl)oxy-3-hydroxycyclohexyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 142290197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).