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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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).