2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol

C14H26O3 — CID 70576920

IUPAC2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol
SMILESCCCCCCC=CC1OCOCC1CCO
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-14-13(9-10-15)11-16-12-17-14/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeySSUKDQCFODTAIE-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.88
Rot. Bonds8

About 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol

2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol (PubChem CID 70576920) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol
PubChem CID70576920
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol
SMILESCCCCCCC=CC1OCOCC1CCO
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-14-13(9-10-15)11-16-12-17-14/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeySSUKDQCFODTAIE-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol?
The IUPAC name of 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol (CID 70576920) is 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol.
What is the SMILES notation for 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol?
The canonical SMILES for 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol is CCCCCCC=CC1OCOCC1CCO.
What is the InChIKey of 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol?
The InChIKey is SSUKDQCFODTAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-14-13(9-10-15)11-16-12-17-14/h7-8,13-15H,2-6,9-12H2,1H3.
What are the key properties of 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol?
2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol has a molecular weight of 242.36 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oct-1-enyl-1,3-dioxan-5-yl)ethanol is sourced from PubChem (CID 70576920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).