3-oct-1-enoxybutylcyclohexane

C18H34O — CID 57057316

IUPAC3-oct-1-enoxybutylcyclohexane
SMILESCCCCCCC=COC(C)CCC1CCCCC1
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-11-16-19-17(2)14-15-18-12-9-8-10-13-18/h11,16-18H,3-10,12-15H2,1-2H3
InChIKeyAIYMWTQWJBLEJY-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.24
Rot. Bonds10

About 3-oct-1-enoxybutylcyclohexane

3-oct-1-enoxybutylcyclohexane (PubChem CID 57057316) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-oct-1-enoxybutylcyclohexane.

Molecular Properties

Compound Name3-oct-1-enoxybutylcyclohexane
PubChem CID57057316
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3-oct-1-enoxybutylcyclohexane
SMILESCCCCCCC=COC(C)CCC1CCCCC1
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-11-16-19-17(2)14-15-18-12-9-8-10-13-18/h11,16-18H,3-10,12-15H2,1-2H3
InChIKeyAIYMWTQWJBLEJY-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.24
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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Frequently Asked Questions

What is the IUPAC name of 3-oct-1-enoxybutylcyclohexane?
The IUPAC name of 3-oct-1-enoxybutylcyclohexane (CID 57057316) is 3-oct-1-enoxybutylcyclohexane.
What is the SMILES notation for 3-oct-1-enoxybutylcyclohexane?
The canonical SMILES for 3-oct-1-enoxybutylcyclohexane is CCCCCCC=COC(C)CCC1CCCCC1.
What is the InChIKey of 3-oct-1-enoxybutylcyclohexane?
The InChIKey is AIYMWTQWJBLEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-4-5-6-7-11-16-19-17(2)14-15-18-12-9-8-10-13-18/h11,16-18H,3-10,12-15H2,1-2H3.
What are the key properties of 3-oct-1-enoxybutylcyclohexane?
3-oct-1-enoxybutylcyclohexane has a molecular weight of 266.47 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-enoxybutylcyclohexane is sourced from PubChem (CID 57057316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).