1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane

C24H42O — CID 67863833

IUPAC1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCOC1CCC(CCC2CCC(CC/C=C/CC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-6-4-2/h4-5,7,21-24H,2-3,6,8-20H2,1H3/b7-5+
InChIKeyKXEIRNKQEONRDM-FNORWQNLSA-N
MW346.60 g/mol
LogP7.47
Rot. Bonds11

About 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane

1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 67863833) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane
PubChem CID67863833
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCOC1CCC(CCC2CCC(CC/C=C/CC)CC2)CC1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-6-4-2/h4-5,7,21-24H,2-3,6,8-20H2,1H3/b7-5+
InChIKeyKXEIRNKQEONRDM-FNORWQNLSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane (CID 67863833) is 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane is C=CCCOC1CCC(CCC2CCC(CC/C=C/CC)CC2)CC1.
What is the InChIKey of 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is KXEIRNKQEONRDM-FNORWQNLSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-6-4-2/h4-5,7,21-24H,2-3,6,8-20H2,1H3/b7-5+.
What are the key properties of 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane?
1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 7.47, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 67863833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).