2-pent-1-enoxybutylcyclohexane

C15H28O — CID 57213042

IUPAC2-pent-1-enoxybutylcyclohexane
SMILESCCCC=COC(CC)CC1CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-9-12-16-15(4-2)13-14-10-7-6-8-11-14/h9,12,14-15H,3-8,10-11,13H2,1-2H3
InChIKeyVHKQRYPFBIPXGM-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.07
Rot. Bonds7

About 2-pent-1-enoxybutylcyclohexane

2-pent-1-enoxybutylcyclohexane (PubChem CID 57213042) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-pent-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name2-pent-1-enoxybutylcyclohexane
PubChem CID57213042
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-pent-1-enoxybutylcyclohexane
SMILESCCCC=COC(CC)CC1CCCCC1
InChIInChI=1S/C15H28O/c1-3-5-9-12-16-15(4-2)13-14-10-7-6-8-11-14/h9,12,14-15H,3-8,10-11,13H2,1-2H3
InChIKeyVHKQRYPFBIPXGM-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

3-pent-1-enoxybutylcyclohexane
CID 57299667
pent-1-enoxymethylcyclodecane
CID 173273161
[(E)-pent-1-enoxy]methylcyclopentane
CID 173273027
1-oct-1-enoxypropylcyclohexane
CID 57124495
azane;2-methylbutylcyclohexane
CID 143986613
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
4-cyclohexyl-3-ethoxybutanal
CID 105451746
1-cyclohexyloctan-2-yl hydrogen sulfite
CID 176893833
1,2-dicyclohexylethylcyclohexane
CID 158413043
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
(Z)-1-ethoxypent-1-ene
CID 12512190

Frequently Asked Questions

What is the IUPAC name of 2-pent-1-enoxybutylcyclohexane?
The IUPAC name of 2-pent-1-enoxybutylcyclohexane (CID 57213042) is 2-pent-1-enoxybutylcyclohexane.
What is the SMILES notation for 2-pent-1-enoxybutylcyclohexane?
The canonical SMILES for 2-pent-1-enoxybutylcyclohexane is CCCC=COC(CC)CC1CCCCC1.
What is the InChIKey of 2-pent-1-enoxybutylcyclohexane?
The InChIKey is VHKQRYPFBIPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-9-12-16-15(4-2)13-14-10-7-6-8-11-14/h9,12,14-15H,3-8,10-11,13H2,1-2H3.
What are the key properties of 2-pent-1-enoxybutylcyclohexane?
2-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 2-pent-1-enoxybutylcyclohexane is sourced from PubChem (CID 57213042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).