methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate

C10H16O3 — CID 178129425

IUPACmethyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(OC)(C(=O)OC)CC1
InChIInChI=1S/C10H16O3/c1-8-4-6-10(13-3,7-5-8)9(11)12-2/h1,4-7H2,2-3H3
InChIKeyMCHGZVVDGXVIHE-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate

methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate (PubChem CID 178129425) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
PubChem CID178129425
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(OC)(C(=O)OC)CC1
InChIInChI=1S/C10H16O3/c1-8-4-6-10(13-3,7-5-8)9(11)12-2/h1,4-7H2,2-3H3
InChIKeyMCHGZVVDGXVIHE-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methoxy-4-methylidenecyclohexane-1-carboxylate?
The IUPAC name of methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate (CID 178129425) is methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate is C=C1CCC(OC)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate?
The InChIKey is MCHGZVVDGXVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-4-6-10(13-3,7-5-8)9(11)12-2/h1,4-7H2,2-3H3.
What are the key properties of methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate?
methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 178129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).