2-nona-3,8-diynyl-1,3-dioxolane

C12H16O2 — CID 71330550

IUPAC2-nona-3,8-diynyl-1,3-dioxolane
SMILESC#CCCCC#CCCC1OCCO1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h1,12H,3-5,8-11H2
InChIKeyTZMPTYVTVYOKDF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.95
Rot. Bonds4

About 2-nona-3,8-diynyl-1,3-dioxolane

2-nona-3,8-diynyl-1,3-dioxolane (PubChem CID 71330550) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-nona-3,8-diynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-nona-3,8-diynyl-1,3-dioxolane
PubChem CID71330550
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-nona-3,8-diynyl-1,3-dioxolane
SMILESC#CCCCC#CCCC1OCCO1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h1,12H,3-5,8-11H2
InChIKeyTZMPTYVTVYOKDF-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-nona-3,8-diynyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nona-3,8-diynyl-1,3-dioxolane?
The IUPAC name of 2-nona-3,8-diynyl-1,3-dioxolane (CID 71330550) is 2-nona-3,8-diynyl-1,3-dioxolane.
What is the SMILES notation for 2-nona-3,8-diynyl-1,3-dioxolane?
The canonical SMILES for 2-nona-3,8-diynyl-1,3-dioxolane is C#CCCCC#CCCC1OCCO1.
What is the InChIKey of 2-nona-3,8-diynyl-1,3-dioxolane?
The InChIKey is TZMPTYVTVYOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h1,12H,3-5,8-11H2.
What are the key properties of 2-nona-3,8-diynyl-1,3-dioxolane?
2-nona-3,8-diynyl-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nona-3,8-diynyl-1,3-dioxolane is sourced from PubChem (CID 71330550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).