2-ethenyl-2,6,6-trimethyloxane

C10H18O — CID 522514

IUPAC2-ethenyl-2,6,6-trimethyloxane
SMILESC=CC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3
InChIKeyNETOHYFTCONTDT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds1

About 2-ethenyl-2,6,6-trimethyloxane

2-ethenyl-2,6,6-trimethyloxane (PubChem CID 522514) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethenyl-2,6,6-trimethyloxane.

Molecular Properties

Compound Name2-ethenyl-2,6,6-trimethyloxane
PubChem CID522514
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethenyl-2,6,6-trimethyloxane
SMILESC=CC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3
InChIKeyNETOHYFTCONTDT-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2,6,6-trimethyloxane with MolForge

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

Launch Full Analysis

Related Compounds

6-Ethenyl-2,2-dimethyloxane
CID 13547826
Methyl-2-vinyltetra-hydropyran
CID 69533161
2-Ethenyl-2,5,5-trimethyloxane
CID 85685250
2-Ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane
CID 23405418
2-Ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane
CID 23405427
2-Ethenyl-2-methyl-6,6-bis(trifluoromethyl)oxane
CID 142139398
2-Ethenyl-6-methyl-2,6-bis(trifluoromethyl)oxane
CID 145856400
6-Divinyltetrahydropyran
CID 129698496
Dehydroxylinalool oxide A
CID 6430803
(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
CID 101411288
(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane
CID 163095254
2-Ethenyl-2-methyl-5-prop-1-en-2-yloxane
CID 12346339

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6,6-trimethyloxane?
The IUPAC name of 2-ethenyl-2,6,6-trimethyloxane (CID 522514) is 2-ethenyl-2,6,6-trimethyloxane.
What is the SMILES notation for 2-ethenyl-2,6,6-trimethyloxane?
The canonical SMILES for 2-ethenyl-2,6,6-trimethyloxane is C=CC1(C)CCCC(C)(C)O1.
What is the InChIKey of 2-ethenyl-2,6,6-trimethyloxane?
The InChIKey is NETOHYFTCONTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenyl-2,6,6-trimethyloxane?
2-ethenyl-2,6,6-trimethyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6,6-trimethyloxane is sourced from PubChem (CID 522514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).