[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate

C15H24O4 — CID 89091482

IUPAC[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CC
InChIInChI=1S/C15H24O4/c1-6-14(16)18-12-7-10(4)11(5)8-13(12)19-15(17)9(2)3/h10-13H,2,6-8H2,1,3-5H3/t10-,11?,12?,13?/m0/s1
InChIKeyDBILBPQRSZBTIH-DCNVRKPOSA-N
MW268.35 g/mol
LogP2.86
Rot. Bonds4

About [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate

[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate (PubChem CID 89091482) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
PubChem CID89091482
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CC
InChIInChI=1S/C15H24O4/c1-6-14(16)18-12-7-10(4)11(5)8-13(12)19-15(17)9(2)3/h10-13H,2,6-8H2,1,3-5H3/t10-,11?,12?,13?/m0/s1
InChIKeyDBILBPQRSZBTIH-DCNVRKPOSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.86
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

[(2S,4R,5S)-2,5-di(propanoyloxy)oxan-4-yl] propanoate
CID 162450779
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
(2,4-dimethylcyclohexyl) propanoate
CID 129231866
(2-methylcyclohexyl) propanoate
CID 546179
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
CID 67023090
[2-(2-methylprop-2-enoyloxy)cyclohexyl] decanoate
CID 71388892
(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
5-propanoyloxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 123284569
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
[5-(iodomethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163926721
(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
CID 174980293
(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 153303586

Frequently Asked Questions

What is the IUPAC name of [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate (CID 89091482) is [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CC.
What is the InChIKey of [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate?
The InChIKey is DBILBPQRSZBTIH-DCNVRKPOSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-14(16)18-12-7-10(4)11(5)8-13(12)19-15(17)9(2)3/h10-13H,2,6-8H2,1,3-5H3/t10-,11?,12?,13?/m0/s1.
What are the key properties of [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate?
[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89091482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).