4-hex-1-enoxybutylcyclohexane

C16H30O — CID 57029820

IUPAC4-hex-1-enoxybutylcyclohexane
SMILESCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-9-14-17-15-10-8-13-16-11-6-5-7-12-16/h9,14,16H,2-8,10-13,15H2,1H3
InChIKeyCOJFGFMJHSLBJI-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds9

About 4-hex-1-enoxybutylcyclohexane

4-hex-1-enoxybutylcyclohexane (PubChem CID 57029820) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-hex-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name4-hex-1-enoxybutylcyclohexane
PubChem CID57029820
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-hex-1-enoxybutylcyclohexane
SMILESCCCCC=COCCCCC1CCCCC1
InChIInChI=1S/C16H30O/c1-2-3-4-9-14-17-15-10-8-13-16-11-6-5-7-12-16/h9,14,16H,2-8,10-13,15H2,1H3
InChIKeyCOJFGFMJHSLBJI-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.46
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

1-Oxaspiro(5.5)undecene, 4-methyl-
CID 109244
[(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
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
tributyl-[(E)-1-(cyclohexylmethoxy)-3-methylpent-1-enyl]stannane
CID 14970160
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
(1S,2R,4R)-2-[(1Z)-hexa-1,5-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15449907
2-Heptyl-2-methyl-3,4-dihydropyran
CID 85821024
Oxabicyclo[10.4.0]hexadecene
CID 129803099

Frequently Asked Questions

What is the IUPAC name of 4-hex-1-enoxybutylcyclohexane?
The IUPAC name of 4-hex-1-enoxybutylcyclohexane (CID 57029820) is 4-hex-1-enoxybutylcyclohexane.
What is the SMILES notation for 4-hex-1-enoxybutylcyclohexane?
The canonical SMILES for 4-hex-1-enoxybutylcyclohexane is CCCCC=COCCCCC1CCCCC1.
What is the InChIKey of 4-hex-1-enoxybutylcyclohexane?
The InChIKey is COJFGFMJHSLBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-9-14-17-15-10-8-13-16-11-6-5-7-12-16/h9,14,16H,2-8,10-13,15H2,1H3.
What are the key properties of 4-hex-1-enoxybutylcyclohexane?
4-hex-1-enoxybutylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-enoxybutylcyclohexane is sourced from PubChem (CID 57029820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).