4-hept-5-enoxybutylcyclohexane

C17H32O — CID 57300842

IUPAC4-hept-5-enoxybutylcyclohexane
SMILESCC=CCCCCOCCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17/h2-3,17H,4-16H2,1H3
InChIKeyZBAWKQUVTAPQPK-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.50
Rot. Bonds10

About 4-hept-5-enoxybutylcyclohexane

4-hept-5-enoxybutylcyclohexane (PubChem CID 57300842) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 4-hept-5-enoxybutylcyclohexane.

Molecular Properties

Compound Name4-hept-5-enoxybutylcyclohexane
PubChem CID57300842
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name4-hept-5-enoxybutylcyclohexane
SMILESCC=CCCCCOCCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17/h2-3,17H,4-16H2,1H3
InChIKeyZBAWKQUVTAPQPK-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.50
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 4-hept-5-enoxybutylcyclohexane?
The IUPAC name of 4-hept-5-enoxybutylcyclohexane (CID 57300842) is 4-hept-5-enoxybutylcyclohexane.
What is the SMILES notation for 4-hept-5-enoxybutylcyclohexane?
The canonical SMILES for 4-hept-5-enoxybutylcyclohexane is CC=CCCCCOCCCCC1CCCCC1.
What is the InChIKey of 4-hept-5-enoxybutylcyclohexane?
The InChIKey is ZBAWKQUVTAPQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17/h2-3,17H,4-16H2,1H3.
What are the key properties of 4-hept-5-enoxybutylcyclohexane?
4-hept-5-enoxybutylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-5-enoxybutylcyclohexane is sourced from PubChem (CID 57300842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).