1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane

C15H26O — CID 18689146

IUPAC1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
SMILESC/C=C/C=C/COC1CCC(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/b5-3+,7-6+
InChIKeyZKMGXIXUSSHWJP-TWTPFVCWSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds6

About 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane

1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane (PubChem CID 18689146) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
PubChem CID18689146
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
SMILESC/C=C/C=C/COC1CCC(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/b5-3+,7-6+
InChIKeyZKMGXIXUSSHWJP-TWTPFVCWSA-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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Related Compounds

1-But-2-enoxy-2,3-difluoro-4-methylcyclohexane
CID 71099918
1-[(E)-but-2-enoxy]-2,3-difluoro-4-methylcyclohexane
CID 124170367
2-Fluoro-4-hexyl-1-prop-2-enoxycyclohexane
CID 140870749
2-Fluoro-4-pentyl-1-prop-2-enoxycyclohexane
CID 140870750
1-[(Z)-but-2-enoxy]-2,3-difluoro-4-methylcyclohexane
CID 157777488
Lithium 4-methyldecoxybenzene
CID 14069914
lithium [(4S)-4-methyldecoxy]benzene
CID 14069916
Lithium 4-methyldodecoxybenzene
CID 14365104
lithium [(4S)-4-methyldodecoxy]benzene
CID 14365106
1-heptyl-4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
CID 18689031
1-[(2E,4E)-hexa-2,4-dienoxy]-4-(4-pentylcyclohexyl)cyclohexane
CID 18689037
1-heptyl-4-[4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexyl]cyclohexane
CID 18689040

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane?
The IUPAC name of 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane (CID 18689146) is 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane.
What is the SMILES notation for 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane?
The canonical SMILES for 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane is C/C=C/C=C/COC1CCC(CCC)CC1.
What is the InChIKey of 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane?
The InChIKey is ZKMGXIXUSSHWJP-TWTPFVCWSA-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/b5-3+,7-6+.
What are the key properties of 1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane?
1-[(2E,4E)-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-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane is sourced from PubChem (CID 18689146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).