1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane

C11H20O2 — CID 12907920

IUPAC1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane
SMILESC=C(COC)C1(OC)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(9-12-2)11(13-3)7-5-4-6-8-11/h1,4-9H2,2-3H3
InChIKeyABNOJDBOGTUANL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds4

About 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane

1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane (PubChem CID 12907920) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane
PubChem CID12907920
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane
SMILESC=C(COC)C1(OC)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(9-12-2)11(13-3)7-5-4-6-8-11/h1,4-9H2,2-3H3
InChIKeyABNOJDBOGTUANL-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
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 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane?
The IUPAC name of 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane (CID 12907920) is 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane?
The canonical SMILES for 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane is C=C(COC)C1(OC)CCCCC1.
What is the InChIKey of 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane?
The InChIKey is ABNOJDBOGTUANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(9-12-2)11(13-3)7-5-4-6-8-11/h1,4-9H2,2-3H3.
What are the key properties of 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane?
1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(3-methoxyprop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 12907920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).