1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane

C15H26O — CID 89451208

IUPAC1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane
SMILESCC(C)=CC(OC1(C)CCCCC1)=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)11-14(13(3)4)16-15(5)9-7-6-8-10-15/h11H,6-10H2,1-5H3
InChIKeyAVZKOCUIEBEAAC-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.99
Rot. Bonds3

About 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane

1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane (PubChem CID 89451208) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane
PubChem CID89451208
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane
SMILESCC(C)=CC(OC1(C)CCCCC1)=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)11-14(13(3)4)16-15(5)9-7-6-8-10-15/h11H,6-10H2,1-5H3
InChIKeyAVZKOCUIEBEAAC-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane?
The IUPAC name of 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane (CID 89451208) is 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane.
What is the SMILES notation for 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane?
The canonical SMILES for 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane is CC(C)=CC(OC1(C)CCCCC1)=C(C)C.
What is the InChIKey of 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane?
The InChIKey is AVZKOCUIEBEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)11-14(13(3)4)16-15(5)9-7-6-8-10-15/h11H,6-10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane?
1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane has a molecular weight of 222.37 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexa-2,4-dien-3-yloxy)-1-methylcyclohexane is sourced from PubChem (CID 89451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).