2-non-8-enyl-1,3-dioxolane

C12H22O2 — CID 14521592

IUPAC2-non-8-enyl-1,3-dioxolane
SMILESC=CCCCCCCCC1OCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2,12H,1,3-11H2
InChIKeyXTOXHAVOXAELJF-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds8

About 2-non-8-enyl-1,3-dioxolane

2-non-8-enyl-1,3-dioxolane (PubChem CID 14521592) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-non-8-enyl-1,3-dioxolane.

Molecular Properties

Compound Name2-non-8-enyl-1,3-dioxolane
PubChem CID14521592
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-non-8-enyl-1,3-dioxolane
SMILESC=CCCCCCCCC1OCCO1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2,12H,1,3-11H2
InChIKeyXTOXHAVOXAELJF-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
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-non-8-enyl-1,3-dioxolane?
The IUPAC name of 2-non-8-enyl-1,3-dioxolane (CID 14521592) is 2-non-8-enyl-1,3-dioxolane.
What is the SMILES notation for 2-non-8-enyl-1,3-dioxolane?
The canonical SMILES for 2-non-8-enyl-1,3-dioxolane is C=CCCCCCCCC1OCCO1.
What is the InChIKey of 2-non-8-enyl-1,3-dioxolane?
The InChIKey is XTOXHAVOXAELJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2,12H,1,3-11H2.
What are the key properties of 2-non-8-enyl-1,3-dioxolane?
2-non-8-enyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-enyl-1,3-dioxolane is sourced from PubChem (CID 14521592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).