[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate

C13H22O4 — CID 135225191

IUPAC[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCCC1OCOC
InChIInChI=1S/C13H22O4/c1-10(2)12(14)17-13(3)8-6-5-7-11(13)16-9-15-4/h11H,1,5-9H2,2-4H3
InChIKeyGWBYCMURQWOQPV-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.43
Rot. Bonds5

About [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate

[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate (PubChem CID 135225191) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
PubChem CID135225191
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCCCC1OCOC
InChIInChI=1S/C13H22O4/c1-10(2)12(14)17-13(3)8-6-5-7-11(13)16-9-15-4/h11H,1,5-9H2,2-4H3
InChIKeyGWBYCMURQWOQPV-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate (CID 135225191) is [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCCCC1OCOC.
What is the InChIKey of [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
The InChIKey is GWBYCMURQWOQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-10(2)12(14)17-13(3)8-6-5-7-11(13)16-9-15-4/h11H,1,5-9H2,2-4H3.
What are the key properties of [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate?
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 135225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).