4-oct-1-enoxybutylcyclohexane

C18H34O — CID 57107856

IUPAC4-oct-1-enoxybutylcyclohexane
SMILESCCCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-11-16-19-17-12-10-15-18-13-8-7-9-14-18/h11,16,18H,2-10,12-15,17H2,1H3
InChIKeyIGNHBJUCDPEGOY-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.24
Rot. Bonds11

About 4-oct-1-enoxybutylcyclohexane

4-oct-1-enoxybutylcyclohexane (PubChem CID 57107856) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-oct-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name4-oct-1-enoxybutylcyclohexane
PubChem CID57107856
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name4-oct-1-enoxybutylcyclohexane
SMILESCCCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-11-16-19-17-12-10-15-18-13-8-7-9-14-18/h11,16,18H,2-10,12-15,17H2,1H3
InChIKeyIGNHBJUCDPEGOY-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.24
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-oct-1-enoxybutylcyclohexane?
The IUPAC name of 4-oct-1-enoxybutylcyclohexane (CID 57107856) is 4-oct-1-enoxybutylcyclohexane.
What is the SMILES notation for 4-oct-1-enoxybutylcyclohexane?
The canonical SMILES for 4-oct-1-enoxybutylcyclohexane is CCCCCCC=COCCCCC1CCCCC1.
What is the InChIKey of 4-oct-1-enoxybutylcyclohexane?
The InChIKey is IGNHBJUCDPEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-4-5-6-11-16-19-17-12-10-15-18-13-8-7-9-14-18/h11,16,18H,2-10,12-15,17H2,1H3.
What are the key properties of 4-oct-1-enoxybutylcyclohexane?
4-oct-1-enoxybutylcyclohexane has a molecular weight of 266.47 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-1-enoxybutylcyclohexane is sourced from PubChem (CID 57107856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).