1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane

C15H28O — CID 22095343

IUPAC1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(OCCCCCC)CC1
InChIInChI=1S/C15H28O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h4,8,14-15H,3,5-7,9-13H2,1-2H3/b8-4+
InChIKeySSNJVSDQSKPOQQ-XBXARRHUSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds7

About 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane

1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane (PubChem CID 22095343) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
PubChem CID22095343
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(OCCCCCC)CC1
InChIInChI=1S/C15H28O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h4,8,14-15H,3,5-7,9-13H2,1-2H3/b8-4+
InChIKeySSNJVSDQSKPOQQ-XBXARRHUSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
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-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane (CID 22095343) is 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCC(OCCCCCC)CC1.
What is the InChIKey of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is SSNJVSDQSKPOQQ-XBXARRHUSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h4,8,14-15H,3,5-7,9-13H2,1-2H3/b8-4+.
What are the key properties of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?
1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 22095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).