3-pent-1-enoxybutylcyclohexane

C15H28O — CID 57299667

IUPAC3-pent-1-enoxybutylcyclohexane
SMILESCCCC=COC(C)CCC1CCCCC1
InChIInChI=1S/C15H28O/c1-3-4-8-13-16-14(2)11-12-15-9-6-5-7-10-15/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyNKRPQOUUUBGWKR-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.07
Rot. Bonds7

About 3-pent-1-enoxybutylcyclohexane

3-pent-1-enoxybutylcyclohexane (PubChem CID 57299667) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-pent-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name3-pent-1-enoxybutylcyclohexane
PubChem CID57299667
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-pent-1-enoxybutylcyclohexane
SMILESCCCC=COC(C)CCC1CCCCC1
InChIInChI=1S/C15H28O/c1-3-4-8-13-16-14(2)11-12-15-9-6-5-7-10-15/h8,13-15H,3-7,9-12H2,1-2H3
InChIKeyNKRPQOUUUBGWKR-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pent-1-enoxybutylcyclohexane
CID 57213042
pent-1-enoxymethylcyclodecane
CID 173273161
4-[4-(3-hept-1-enoxybutyl)cyclohexyl]benzonitrile
CID 57048953
[(E)-pent-1-enoxy]methylcyclopentane
CID 173273027
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
propylcyclotetradecane
CID 90991550
1-cyclohexylhexan-3-amine
CID 43370456
formaldehyde;propylcyclohexane
CID 174845889
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
2-(2-cyclohexylethyl)-N-propan-2-ylpentan-1-amine
CID 114192486
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865

Frequently Asked Questions

What is the IUPAC name of 3-pent-1-enoxybutylcyclohexane?
The IUPAC name of 3-pent-1-enoxybutylcyclohexane (CID 57299667) is 3-pent-1-enoxybutylcyclohexane.
What is the SMILES notation for 3-pent-1-enoxybutylcyclohexane?
The canonical SMILES for 3-pent-1-enoxybutylcyclohexane is CCCC=COC(C)CCC1CCCCC1.
What is the InChIKey of 3-pent-1-enoxybutylcyclohexane?
The InChIKey is NKRPQOUUUBGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-4-8-13-16-14(2)11-12-15-9-6-5-7-10-15/h8,13-15H,3-7,9-12H2,1-2H3.
What are the key properties of 3-pent-1-enoxybutylcyclohexane?
3-pent-1-enoxybutylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-enoxybutylcyclohexane is sourced from PubChem (CID 57299667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).