propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate

C15H22O4 — CID 57194971

IUPACpropyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=CC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C15H22O4/c1-3-10-18-15(17)13(19-14(16)4-2)11-12-8-6-5-7-9-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyDFRSPHOJOUUMOH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.13
Rot. Bonds6

About propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate

propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate (PubChem CID 57194971) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate.

Molecular Properties

Compound Namepropyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate
PubChem CID57194971
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namepropyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=CC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C15H22O4/c1-3-10-18-15(17)13(19-14(16)4-2)11-12-8-6-5-7-9-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyDFRSPHOJOUUMOH-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-acetyloxynon-2-enoate
CID 21632749
methyl (2E,4Z)-4-acetyloxy-5-cyclohexylpenta-2,4-dienoate
CID 135042421
ethyl (3R,4S)-4-methyl-2-oxo-3-propan-2-yl-3,4-dihydropyran-6-carboxylate
CID 135075603
Ethyl 6-oxo-3-pentylpyran-2-carboxylate
CID 164687111
ethyl (Z)-2-acetyloxynon-2-enoate
CID 21632748
ethyl (3S,4S)-3-ethyl-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate
CID 59445872
(2S)-5-methoxy-2-[(Z,2S)-pent-3-en-2-yl]-2,3-dihydropyran-6-one
CID 68038587
methyl (2S,3R,4R)-2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 68178385
Tert-butyl 3-cyclohexyl-2-methoxyprop-2-enoate
CID 69431729
Methyl 3-cyclohexyl-2-methoxyprop-2-enoate
CID 85761211
tert-butyl (Z)-3-cyclohexyl-2-methoxyprop-2-enoate
CID 87831995
(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one
CID 88976123

Frequently Asked Questions

What is the IUPAC name of propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate?
The IUPAC name of propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate (CID 57194971) is propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate.
What is the SMILES notation for propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate?
The canonical SMILES for propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate is C=CC(=O)OC(=CC1CCCCC1)C(=O)OCCC.
What is the InChIKey of propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate?
The InChIKey is DFRSPHOJOUUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-10-18-15(17)13(19-14(16)4-2)11-12-8-6-5-7-9-12/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate?
propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-cyclohexyl-2-prop-2-enoyloxyprop-2-enoate is sourced from PubChem (CID 57194971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).