4-hept-1-enoxybutylcyclohexane

C17H32O — CID 57178146

IUPAC4-hept-1-enoxybutylcyclohexane
SMILESCCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17/h10,15,17H,2-9,11-14,16H2,1H3
InChIKeyIUZSKPZLQLULDN-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.85
Rot. Bonds10

About 4-hept-1-enoxybutylcyclohexane

4-hept-1-enoxybutylcyclohexane (PubChem CID 57178146) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 4-hept-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name4-hept-1-enoxybutylcyclohexane
PubChem CID57178146
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name4-hept-1-enoxybutylcyclohexane
SMILESCCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17/h10,15,17H,2-9,11-14,16H2,1H3
InChIKeyIUZSKPZLQLULDN-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[(2S)-2-fluoro-7-methyloctoxy]undec-1-ene
CID 134864029
[(Z)-1-deuterio-3,3-dimethylbut-1-enoxy]methylcyclohexane
CID 11127223
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-enyl]stannane
CID 14970159
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
3-Cyclohexyldihydropyran
CID 20290313
tributyl-[(E)-1-(cyclohexylmethoxy)-3,3-dimethylbut-1-enyl]stannane
CID 11005407
tributyl-[(E)-1-(cyclohexylmethoxy)-3-methylpent-1-enyl]stannane
CID 14970160
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
[(Z)-1-deuteriohex-1-enoxy]methylcyclohexane
CID 134987913
(E)-1-[(1S)-1-fluoro-6-methylheptoxy]undec-1-ene
CID 11370056
4-butyl-3,4-dihydro-2H-pyran
CID 15353587
7-Ethyl-11-methoxyundec-1-ene
CID 17825215

Frequently Asked Questions

What is the IUPAC name of 4-hept-1-enoxybutylcyclohexane?
The IUPAC name of 4-hept-1-enoxybutylcyclohexane (CID 57178146) is 4-hept-1-enoxybutylcyclohexane.
What is the SMILES notation for 4-hept-1-enoxybutylcyclohexane?
The canonical SMILES for 4-hept-1-enoxybutylcyclohexane is CCCCCC=COCCCCC1CCCCC1.
What is the InChIKey of 4-hept-1-enoxybutylcyclohexane?
The InChIKey is IUZSKPZLQLULDN-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/h10,15,17H,2-9,11-14,16H2,1H3.
What are the key properties of 4-hept-1-enoxybutylcyclohexane?
4-hept-1-enoxybutylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-1-enoxybutylcyclohexane is sourced from PubChem (CID 57178146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).