1-hexa-2,4-dienoxy-4-propylcyclohexane

C15H26O — CID 54551908

IUPAC1-hexa-2,4-dienoxy-4-propylcyclohexane
SMILESCC=CC=CCOC1CCC(CCC)CC1
InChIInChI=1S/C15H26O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h3,5-7,14-15H,4,8-13H2,1-2H3
InChIKeyZKMGXIXUSSHWJP-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds6

About 1-hexa-2,4-dienoxy-4-propylcyclohexane

1-hexa-2,4-dienoxy-4-propylcyclohexane (PubChem CID 54551908) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-hexa-2,4-dienoxy-4-propylcyclohexane.

Molecular Properties

Compound Name1-hexa-2,4-dienoxy-4-propylcyclohexane
PubChem CID54551908
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-hexa-2,4-dienoxy-4-propylcyclohexane
SMILESCC=CC=CCOC1CCC(CCC)CC1
InChIInChI=1S/C15H26O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h3,5-7,14-15H,4,8-13H2,1-2H3
InChIKeyZKMGXIXUSSHWJP-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexa-2,4-dienoxy-4-propylcyclohexane?
The IUPAC name of 1-hexa-2,4-dienoxy-4-propylcyclohexane (CID 54551908) is 1-hexa-2,4-dienoxy-4-propylcyclohexane.
What is the SMILES notation for 1-hexa-2,4-dienoxy-4-propylcyclohexane?
The canonical SMILES for 1-hexa-2,4-dienoxy-4-propylcyclohexane is CC=CC=CCOC1CCC(CCC)CC1.
What is the InChIKey of 1-hexa-2,4-dienoxy-4-propylcyclohexane?
The InChIKey is ZKMGXIXUSSHWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h3,5-7,14-15H,4,8-13H2,1-2H3.
What are the key properties of 1-hexa-2,4-dienoxy-4-propylcyclohexane?
1-hexa-2,4-dienoxy-4-propylcyclohexane has a molecular weight of 222.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,4-dienoxy-4-propylcyclohexane is sourced from PubChem (CID 54551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).