ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen

C16H30O2 — CID 157183095

IUPACethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
SMILESC=COC(=O)C1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C16H26O2.2H2/c1-3-18-16(17)15-10-8-14(9-11-15)13-6-4-12(2)5-7-13;;/h3,12-15H,1,4-11H2,2H3;2*1H
InChIKeyAOUDTIDJMNRTLA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.80
Rot. Bonds3

About ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen

ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen (PubChem CID 157183095) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
PubChem CID157183095
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
SMILESC=COC(=O)C1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C16H26O2.2H2/c1-3-18-16(17)15-10-8-14(9-11-15)13-6-4-12(2)5-7-13;;/h3,12-15H,1,4-11H2,2H3;2*1H
InChIKeyAOUDTIDJMNRTLA-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl cyclopropanecarboxylate;hydrochloride
CID 70403102
acetic acid;ethenyl cyclopropanecarboxylate
CID 66733921
ethenyl cyclopropanecarboxylate;ethenylsilane
CID 173077212
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate
CID 70516962
(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
CID 159848305
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The IUPAC name of ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen (CID 157183095) is ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen.
What is the SMILES notation for ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The canonical SMILES for ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen is C=COC(=O)C1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H].
What is the InChIKey of ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The InChIKey is AOUDTIDJMNRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.2H2/c1-3-18-16(17)15-10-8-14(9-11-15)13-6-4-12(2)5-7-13;;/h3,12-15H,1,4-11H2,2H3;2*1H.
What are the key properties of ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen has a molecular weight of 254.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 157183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).