2-nonadec-6-en-9-yl-1,3-dioxolane

C22H42O2 — CID 68995853

IUPAC2-nonadec-6-en-9-yl-1,3-dioxolane
SMILESCCCCCC=CCC(CCCCCCCCCC)C1OCCO1
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-12-14-16-18-21(22-23-19-20-24-22)17-15-13-10-8-6-4-2/h13,15,21-22H,3-12,14,16-20H2,1-2H3
InChIKeyAGKLMVREYZNQPX-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.03
Rot. Bonds16

About 2-nonadec-6-en-9-yl-1,3-dioxolane

2-nonadec-6-en-9-yl-1,3-dioxolane (PubChem CID 68995853) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-nonadec-6-en-9-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-nonadec-6-en-9-yl-1,3-dioxolane
PubChem CID68995853
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name2-nonadec-6-en-9-yl-1,3-dioxolane
SMILESCCCCCC=CCC(CCCCCCCCCC)C1OCCO1
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-12-14-16-18-21(22-23-19-20-24-22)17-15-13-10-8-6-4-2/h13,15,21-22H,3-12,14,16-20H2,1-2H3
InChIKeyAGKLMVREYZNQPX-UHFFFAOYSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-nonadec-6-en-9-yl-1,3-dioxolane?
The IUPAC name of 2-nonadec-6-en-9-yl-1,3-dioxolane (CID 68995853) is 2-nonadec-6-en-9-yl-1,3-dioxolane.
What is the SMILES notation for 2-nonadec-6-en-9-yl-1,3-dioxolane?
The canonical SMILES for 2-nonadec-6-en-9-yl-1,3-dioxolane is CCCCCC=CCC(CCCCCCCCCC)C1OCCO1.
What is the InChIKey of 2-nonadec-6-en-9-yl-1,3-dioxolane?
The InChIKey is AGKLMVREYZNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-3-5-7-9-11-12-14-16-18-21(22-23-19-20-24-22)17-15-13-10-8-6-4-2/h13,15,21-22H,3-12,14,16-20H2,1-2H3.
What are the key properties of 2-nonadec-6-en-9-yl-1,3-dioxolane?
2-nonadec-6-en-9-yl-1,3-dioxolane has a molecular weight of 338.58 g/mol, XLogP of 7.03, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadec-6-en-9-yl-1,3-dioxolane is sourced from PubChem (CID 68995853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).