methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate

C10H16O3 — CID 123922763

IUPACmethyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C(OC)C1
InChIInChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(6-7)12-2/h8-9H,1,4-6H2,2-3H3
InChIKeyHXGSFQZTNLNSKT-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate

methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate (PubChem CID 123922763) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate
PubChem CID123922763
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C(OC)C1
InChIInChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(6-7)12-2/h8-9H,1,4-6H2,2-3H3
InChIKeyHXGSFQZTNLNSKT-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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 2-methoxy-4-methylidenecyclohexane-1-carboxylate?
The IUPAC name of methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate (CID 123922763) is methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate is C=C1CCC(C(=O)OC)C(OC)C1.
What is the InChIKey of methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate?
The InChIKey is HXGSFQZTNLNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(6-7)12-2/h8-9H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate?
methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 123922763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).