2-hex-1-enoxybutylcyclohexane

C16H30O — CID 57035436

IUPAC2-hex-1-enoxybutylcyclohexane
SMILESCCCCC=COC(CC)CC1CCCCC1
InChIInChI=1S/C16H30O/c1-3-5-6-10-13-17-16(4-2)14-15-11-8-7-9-12-15/h10,13,15-16H,3-9,11-12,14H2,1-2H3
InChIKeyGSYIXUPJRMDTRA-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds8

About 2-hex-1-enoxybutylcyclohexane

2-hex-1-enoxybutylcyclohexane (PubChem CID 57035436) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-hex-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name2-hex-1-enoxybutylcyclohexane
PubChem CID57035436
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-hex-1-enoxybutylcyclohexane
SMILESCCCCC=COC(CC)CC1CCCCC1
InChIInChI=1S/C16H30O/c1-3-5-6-10-13-17-16(4-2)14-15-11-8-7-9-12-15/h10,13,15-16H,3-9,11-12,14H2,1-2H3
InChIKeyGSYIXUPJRMDTRA-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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-Oxaspiro[5.5]undec-2-ene
CID 21673928
Cyclohexyl divinyl ether
CID 57018671
Thromboxene
CID 57129285
4a,5,6,7,8,8a-Hexahydro-4H-1-benzopyran
CID 85782364
1-(4-Ethenylheptyl)-2,3-difluoro-4-methoxycyclohexane
CID 117646552
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
cis-(1S,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291129

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enoxybutylcyclohexane?
The IUPAC name of 2-hex-1-enoxybutylcyclohexane (CID 57035436) is 2-hex-1-enoxybutylcyclohexane.
What is the SMILES notation for 2-hex-1-enoxybutylcyclohexane?
The canonical SMILES for 2-hex-1-enoxybutylcyclohexane is CCCCC=COC(CC)CC1CCCCC1.
What is the InChIKey of 2-hex-1-enoxybutylcyclohexane?
The InChIKey is GSYIXUPJRMDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-6-10-13-17-16(4-2)14-15-11-8-7-9-12-15/h10,13,15-16H,3-9,11-12,14H2,1-2H3.
What are the key properties of 2-hex-1-enoxybutylcyclohexane?
2-hex-1-enoxybutylcyclohexane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enoxybutylcyclohexane is sourced from PubChem (CID 57035436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).