1-but-2-enoxybutylcyclohexane

C14H26O — CID 56985663

IUPAC1-but-2-enoxybutylcyclohexane
SMILESCC=CCOC(CCC)C1CCCCC1
InChIInChI=1S/C14H26O/c1-3-5-12-15-14(9-4-2)13-10-7-6-8-11-13/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyNJSGHVTVJAGZIB-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds6

About 1-but-2-enoxybutylcyclohexane

1-but-2-enoxybutylcyclohexane (PubChem CID 56985663) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-but-2-enoxybutylcyclohexane.

Molecular Properties

Compound Name1-but-2-enoxybutylcyclohexane
PubChem CID56985663
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-but-2-enoxybutylcyclohexane
SMILESCC=CCOC(CCC)C1CCCCC1
InChIInChI=1S/C14H26O/c1-3-5-12-15-14(9-4-2)13-10-7-6-8-11-13/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyNJSGHVTVJAGZIB-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxybutylcyclohexane?
The IUPAC name of 1-but-2-enoxybutylcyclohexane (CID 56985663) is 1-but-2-enoxybutylcyclohexane.
What is the SMILES notation for 1-but-2-enoxybutylcyclohexane?
The canonical SMILES for 1-but-2-enoxybutylcyclohexane is CC=CCOC(CCC)C1CCCCC1.
What is the InChIKey of 1-but-2-enoxybutylcyclohexane?
The InChIKey is NJSGHVTVJAGZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-12-15-14(9-4-2)13-10-7-6-8-11-13/h3,5,13-14H,4,6-12H2,1-2H3.
What are the key properties of 1-but-2-enoxybutylcyclohexane?
1-but-2-enoxybutylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxybutylcyclohexane is sourced from PubChem (CID 56985663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).