prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate

C14H22O4 — CID 59080115

IUPACprop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate
SMILESC=CCOCOC1CCC(C(=O)OCC=C)CC1
InChIInChI=1S/C14H22O4/c1-3-9-16-11-18-13-7-5-12(6-8-13)14(15)17-10-4-2/h3-4,12-13H,1-2,5-11H2
InChIKeyRTMCPRSZFVGMAM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.45
Rot. Bonds8

About prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate

prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate (PubChem CID 59080115) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate
PubChem CID59080115
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameprop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate
SMILESC=CCOCOC1CCC(C(=O)OCC=C)CC1
InChIInChI=1S/C14H22O4/c1-3-9-16-11-18-13-7-5-12(6-8-13)14(15)17-10-4-2/h3-4,12-13H,1-2,5-11H2
InChIKeyRTMCPRSZFVGMAM-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate 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

Prop-2-enyl 4-(3-oxobutanoyloxy)cyclohexane-1-carboxylate
CID 20260696
4-(1-Prop-2-enoyloxybutoxymethoxy)cyclohexane-1-carboxylic acid
CID 57694851
4-(4-Prop-2-enoyloxybutoxymethoxy)cyclohexane-1-carboxylic acid
CID 57694852
4-Prop-2-enoyloxycyclohexane-1-carboxylate
CID 58108042
Prop-2-enyl 4-but-3-enoyloxycyclohexane-1-carboxylate
CID 59080116
Methyl 4-(6-prop-2-enoyloxyhexoxy)cyclohexane-1-carboxylate
CID 59197032
Prop-2-enyl 4-hydroxycyclohexane-1-carboxylate
CID 68126654
1-O-(cyclohexyloxycarbonyloxymethyl) 7-O-prop-2-enyl 2-methylheptanedioate
CID 69923964
4-Allyloxy-cyclohexanecarboxylic acid
CID 84009697
Butyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 89136344
Cyclohexylmethoxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 89211188
Cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 89211192

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate (CID 59080115) is prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate is C=CCOCOC1CCC(C(=O)OCC=C)CC1.
What is the InChIKey of prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate?
The InChIKey is RTMCPRSZFVGMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-9-16-11-18-13-7-5-12(6-8-13)14(15)17-10-4-2/h3-4,12-13H,1-2,5-11H2.
What are the key properties of prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate?
prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(prop-2-enoxymethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 59080115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).