1-(4-methoxy-4-methylpentyl)cyclohexene

C13H24O — CID 20709963

IUPAC1-(4-methoxy-4-methylpentyl)cyclohexene
SMILESCOC(C)(C)CCCC1=CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,14-3)11-7-10-12-8-5-4-6-9-12/h8H,4-7,9-11H2,1-3H3
InChIKeyGYXYVXREOVDQMH-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-methoxy-4-methylpentyl)cyclohexene

1-(4-methoxy-4-methylpentyl)cyclohexene (PubChem CID 20709963) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpentyl)cyclohexene.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpentyl)cyclohexene
PubChem CID20709963
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(4-methoxy-4-methylpentyl)cyclohexene
SMILESCOC(C)(C)CCCC1=CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,14-3)11-7-10-12-8-5-4-6-9-12/h8H,4-7,9-11H2,1-3H3
InChIKeyGYXYVXREOVDQMH-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-methoxy-4-methylpentyl)cyclohexene?
The IUPAC name of 1-(4-methoxy-4-methylpentyl)cyclohexene (CID 20709963) is 1-(4-methoxy-4-methylpentyl)cyclohexene.
What is the SMILES notation for 1-(4-methoxy-4-methylpentyl)cyclohexene?
The canonical SMILES for 1-(4-methoxy-4-methylpentyl)cyclohexene is COC(C)(C)CCCC1=CCCCC1.
What is the InChIKey of 1-(4-methoxy-4-methylpentyl)cyclohexene?
The InChIKey is GYXYVXREOVDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2,14-3)11-7-10-12-8-5-4-6-9-12/h8H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(4-methoxy-4-methylpentyl)cyclohexene?
1-(4-methoxy-4-methylpentyl)cyclohexene has a molecular weight of 196.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpentyl)cyclohexene is sourced from PubChem (CID 20709963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).