methyl 3-ethenylcyclohexane-1-carboxylate

C10H16O2 — CID 142059181

IUPACmethyl 3-ethenylcyclohexane-1-carboxylate
SMILESC=CC1CCCC(C(=O)OC)C1
InChIInChI=1S/C10H16O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h3,8-9H,1,4-7H2,2H3
InChIKeyRAHQYHRUAMXCHU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About methyl 3-ethenylcyclohexane-1-carboxylate

methyl 3-ethenylcyclohexane-1-carboxylate (PubChem CID 142059181) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 3-ethenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethenylcyclohexane-1-carboxylate
PubChem CID142059181
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 3-ethenylcyclohexane-1-carboxylate
SMILESC=CC1CCCC(C(=O)OC)C1
InChIInChI=1S/C10H16O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h3,8-9H,1,4-7H2,2H3
InChIKeyRAHQYHRUAMXCHU-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenylcyclohexane-1-carboxylate?
The IUPAC name of methyl 3-ethenylcyclohexane-1-carboxylate (CID 142059181) is methyl 3-ethenylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-ethenylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-ethenylcyclohexane-1-carboxylate is C=CC1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethenylcyclohexane-1-carboxylate?
The InChIKey is RAHQYHRUAMXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of methyl 3-ethenylcyclohexane-1-carboxylate?
methyl 3-ethenylcyclohexane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenylcyclohexane-1-carboxylate is sourced from PubChem (CID 142059181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).