2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane

C23H44O3 — CID 54239699

IUPAC2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCCOC1COC(C)(C)O1
InChIInChI=1S/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22-21-25-23(2,3)26-22/h11-12,22H,4-10,13-21H2,1-3H3
InChIKeyQPCRNXPSRHWUFM-UHFFFAOYSA-N
MW368.60 g/mol
LogP7.15
Rot. Bonds17

About 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane

2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane (PubChem CID 54239699) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane
PubChem CID54239699
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCCOC1COC(C)(C)O1
InChIInChI=1S/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22-21-25-23(2,3)26-22/h11-12,22H,4-10,13-21H2,1-3H3
InChIKeyQPCRNXPSRHWUFM-UHFFFAOYSA-N
XLogP7.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 57.15
H-Bond Donors ≤ 50
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 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane (CID 54239699) is 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane is CCCCCCCCC=CCCCCCCCCOC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane?
The InChIKey is QPCRNXPSRHWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22-21-25-23(2,3)26-22/h11-12,22H,4-10,13-21H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane?
2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane has a molecular weight of 368.60 g/mol, XLogP of 7.15, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-octadec-9-enoxy-1,3-dioxolane is sourced from PubChem (CID 54239699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).