1-hexa-2,4-dienoxy-4-pentylcyclohexane

C17H30O — CID 54337499

IUPAC1-hexa-2,4-dienoxy-4-pentylcyclohexane
SMILESCC=CC=CCOC1CCC(CCCCC)CC1
InChIInChI=1S/C17H30O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h3,5,7,9,16-17H,4,6,8,10-15H2,1-2H3
InChIKeyTWNXKSKUYHDXNO-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.27
Rot. Bonds8

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

1-hexa-2,4-dienoxy-4-pentylcyclohexane (PubChem CID 54337499) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-hexa-2,4-dienoxy-4-pentylcyclohexane.

Molecular Properties

Compound Name1-hexa-2,4-dienoxy-4-pentylcyclohexane
PubChem CID54337499
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-hexa-2,4-dienoxy-4-pentylcyclohexane
SMILESCC=CC=CCOC1CCC(CCCCC)CC1
InChIInChI=1S/C17H30O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h3,5,7,9,16-17H,4,6,8,10-15H2,1-2H3
InChIKeyTWNXKSKUYHDXNO-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylcyclohexane?
The IUPAC name of 1-hexa-2,4-dienoxy-4-pentylcyclohexane (CID 54337499) is 1-hexa-2,4-dienoxy-4-pentylcyclohexane.
What is the SMILES notation for 1-hexa-2,4-dienoxy-4-pentylcyclohexane?
The canonical SMILES for 1-hexa-2,4-dienoxy-4-pentylcyclohexane is CC=CC=CCOC1CCC(CCCCC)CC1.
What is the InChIKey of 1-hexa-2,4-dienoxy-4-pentylcyclohexane?
The InChIKey is TWNXKSKUYHDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h3,5,7,9,16-17H,4,6,8,10-15H2,1-2H3.
What are the key properties of 1-hexa-2,4-dienoxy-4-pentylcyclohexane?
1-hexa-2,4-dienoxy-4-pentylcyclohexane has a molecular weight of 250.43 g/mol, XLogP of 5.27, 8 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-pentylcyclohexane is sourced from PubChem (CID 54337499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).