1-but-3-enoxy-1-but-3-enylcyclohexane

C14H24O — CID 57162118

IUPAC1-but-3-enoxy-1-but-3-enylcyclohexane
SMILESC=CCCOC1(CCC=C)CCCCC1
InChIInChI=1S/C14H24O/c1-3-5-10-14(15-13-6-4-2)11-8-7-9-12-14/h3-4H,1-2,5-13H2
InChIKeyMHIPTCNQZYLVPJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.25
Rot. Bonds7

About 1-but-3-enoxy-1-but-3-enylcyclohexane

1-but-3-enoxy-1-but-3-enylcyclohexane (PubChem CID 57162118) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-but-3-enoxy-1-but-3-enylcyclohexane.

Molecular Properties

Compound Name1-but-3-enoxy-1-but-3-enylcyclohexane
PubChem CID57162118
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-but-3-enoxy-1-but-3-enylcyclohexane
SMILESC=CCCOC1(CCC=C)CCCCC1
InChIInChI=1S/C14H24O/c1-3-5-10-14(15-13-6-4-2)11-8-7-9-12-14/h3-4H,1-2,5-13H2
InChIKeyMHIPTCNQZYLVPJ-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-1-but-3-enylcyclohexane?
The IUPAC name of 1-but-3-enoxy-1-but-3-enylcyclohexane (CID 57162118) is 1-but-3-enoxy-1-but-3-enylcyclohexane.
What is the SMILES notation for 1-but-3-enoxy-1-but-3-enylcyclohexane?
The canonical SMILES for 1-but-3-enoxy-1-but-3-enylcyclohexane is C=CCCOC1(CCC=C)CCCCC1.
What is the InChIKey of 1-but-3-enoxy-1-but-3-enylcyclohexane?
The InChIKey is MHIPTCNQZYLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-10-14(15-13-6-4-2)11-8-7-9-12-14/h3-4H,1-2,5-13H2.
What are the key properties of 1-but-3-enoxy-1-but-3-enylcyclohexane?
1-but-3-enoxy-1-but-3-enylcyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-1-but-3-enylcyclohexane is sourced from PubChem (CID 57162118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).