2-methyl-2-pent-4-ynyl-1,3-dioxolane

C9H14O2 — CID 10034823

IUPAC2-methyl-2-pent-4-ynyl-1,3-dioxolane
SMILESC#CCCCC1(C)OCCO1
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(2)10-7-8-11-9/h1H,4-8H2,2H3
InChIKeyQIJZEHJWKJYDOE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-2-pent-4-ynyl-1,3-dioxolane

2-methyl-2-pent-4-ynyl-1,3-dioxolane (PubChem CID 10034823) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-2-pent-4-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-pent-4-ynyl-1,3-dioxolane
PubChem CID10034823
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methyl-2-pent-4-ynyl-1,3-dioxolane
SMILESC#CCCCC1(C)OCCO1
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(2)10-7-8-11-9/h1H,4-8H2,2H3
InChIKeyQIJZEHJWKJYDOE-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
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-methyl-2-pent-4-ynyl-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-methyl-2-pent-4-ynyl-1,3-dioxolane?
The IUPAC name of 2-methyl-2-pent-4-ynyl-1,3-dioxolane (CID 10034823) is 2-methyl-2-pent-4-ynyl-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-pent-4-ynyl-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-pent-4-ynyl-1,3-dioxolane is C#CCCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-pent-4-ynyl-1,3-dioxolane?
The InChIKey is QIJZEHJWKJYDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-6-9(2)10-7-8-11-9/h1H,4-8H2,2H3.
What are the key properties of 2-methyl-2-pent-4-ynyl-1,3-dioxolane?
2-methyl-2-pent-4-ynyl-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-4-ynyl-1,3-dioxolane is sourced from PubChem (CID 10034823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).