acetylene;2-ethenyl-2,6,6-trimethyloxane

C12H20O — CID 145135989

IUPACacetylene;2-ethenyl-2,6,6-trimethyloxane
SMILESC#C.C=CC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H18O.C2H2/c1-5-10(4)8-6-7-9(2,3)11-10;1-2/h5H,1,6-8H2,2-4H3;1-2H
InChIKeyNVBPFQPLDFICBE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds1

About acetylene;2-ethenyl-2,6,6-trimethyloxane

acetylene;2-ethenyl-2,6,6-trimethyloxane (PubChem CID 145135989) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is acetylene;2-ethenyl-2,6,6-trimethyloxane.

Molecular Properties

Compound Nameacetylene;2-ethenyl-2,6,6-trimethyloxane
PubChem CID145135989
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameacetylene;2-ethenyl-2,6,6-trimethyloxane
SMILESC#C.C=CC1(C)CCCC(C)(C)O1
InChIInChI=1S/C10H18O.C2H2/c1-5-10(4)8-6-7-9(2,3)11-10;1-2/h5H,1,6-8H2,2-4H3;1-2H
InChIKeyNVBPFQPLDFICBE-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-Trimethyl-2-vinyltetrahydropyran
CID 522514
6-Ethenyl-2,2-dimethyloxane
CID 13547826
2-Ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane
CID 23405418
Dehydroxylinalool oxide A
CID 6430803
2,2-Bis(ethenyl)-6-methyloxane
CID 90791908
6-Ethenyl-2,3,6-trimethyl-2-propyloxane
CID 123947244
3-(3,7-Dimethyloct-1-en-3-yloxy)-3,7-dimethyloct-1-ene
CID 174830533
3-Butoxy-3,7-dimethyloct-1-ene
CID 174853805
(2S)-2-ethenyl-2,6,6-trimethyloxane
CID 76967213
2-Ethenyl-2,4,4,6,6-pentamethyloxane
CID 160742309

Frequently Asked Questions

What is the IUPAC name of acetylene;2-ethenyl-2,6,6-trimethyloxane?
The IUPAC name of acetylene;2-ethenyl-2,6,6-trimethyloxane (CID 145135989) is acetylene;2-ethenyl-2,6,6-trimethyloxane.
What is the SMILES notation for acetylene;2-ethenyl-2,6,6-trimethyloxane?
The canonical SMILES for acetylene;2-ethenyl-2,6,6-trimethyloxane is C#C.C=CC1(C)CCCC(C)(C)O1.
What is the InChIKey of acetylene;2-ethenyl-2,6,6-trimethyloxane?
The InChIKey is NVBPFQPLDFICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C2H2/c1-5-10(4)8-6-7-9(2,3)11-10;1-2/h5H,1,6-8H2,2-4H3;1-2H.
What are the key properties of acetylene;2-ethenyl-2,6,6-trimethyloxane?
acetylene;2-ethenyl-2,6,6-trimethyloxane has a molecular weight of 180.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-ethenyl-2,6,6-trimethyloxane is sourced from PubChem (CID 145135989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).