2-ethenyl-2,4,4,6,6-pentamethyloxane

C12H22O — CID 160742309

IUPAC2-ethenyl-2,4,4,6,6-pentamethyloxane
SMILESC=CC1(C)CC(C)(C)CC(C)(C)O1
InChIInChI=1S/C12H22O/c1-7-12(6)9-10(2,3)8-11(4,5)13-12/h7H,1,8-9H2,2-6H3
InChIKeyUXBWJKJCCGCYJH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds1

About 2-ethenyl-2,4,4,6,6-pentamethyloxane

2-ethenyl-2,4,4,6,6-pentamethyloxane (PubChem CID 160742309) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethenyl-2,4,4,6,6-pentamethyloxane.

Molecular Properties

Compound Name2-ethenyl-2,4,4,6,6-pentamethyloxane
PubChem CID160742309
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethenyl-2,4,4,6,6-pentamethyloxane
SMILESC=CC1(C)CC(C)(C)CC(C)(C)O1
InChIInChI=1S/C12H22O/c1-7-12(6)9-10(2,3)8-11(4,5)13-12/h7H,1,8-9H2,2-6H3
InChIKeyUXBWJKJCCGCYJH-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2,4,4,6,6-pentamethyloxane 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-ethenyl-2,4,4,6,6-pentamethyloxane?
The IUPAC name of 2-ethenyl-2,4,4,6,6-pentamethyloxane (CID 160742309) is 2-ethenyl-2,4,4,6,6-pentamethyloxane.
What is the SMILES notation for 2-ethenyl-2,4,4,6,6-pentamethyloxane?
The canonical SMILES for 2-ethenyl-2,4,4,6,6-pentamethyloxane is C=CC1(C)CC(C)(C)CC(C)(C)O1.
What is the InChIKey of 2-ethenyl-2,4,4,6,6-pentamethyloxane?
The InChIKey is UXBWJKJCCGCYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-7-12(6)9-10(2,3)8-11(4,5)13-12/h7H,1,8-9H2,2-6H3.
What are the key properties of 2-ethenyl-2,4,4,6,6-pentamethyloxane?
2-ethenyl-2,4,4,6,6-pentamethyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,4,4,6,6-pentamethyloxane is sourced from PubChem (CID 160742309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).