3-(2,3-dimethylbut-3-enyl)oxolane;ethane

C14H30O — CID 143750463

IUPAC3-(2,3-dimethylbut-3-enyl)oxolane;ethane
SMILESC=C(C)C(C)CC1CCOC1.CC.CC
InChIInChI=1S/C10H18O.2C2H6/c1-8(2)9(3)6-10-4-5-11-7-10;2*1-2/h9-10H,1,4-7H2,2-3H3;2*1-2H3
InChIKeyGYBGWMYBROBYFF-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.68
Rot. Bonds3

About 3-(2,3-dimethylbut-3-enyl)oxolane;ethane

3-(2,3-dimethylbut-3-enyl)oxolane;ethane (PubChem CID 143750463) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-(2,3-dimethylbut-3-enyl)oxolane;ethane.

Molecular Properties

Compound Name3-(2,3-dimethylbut-3-enyl)oxolane;ethane
PubChem CID143750463
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-(2,3-dimethylbut-3-enyl)oxolane;ethane
SMILESC=C(C)C(C)CC1CCOC1.CC.CC
InChIInChI=1S/C10H18O.2C2H6/c1-8(2)9(3)6-10-4-5-11-7-10;2*1-2/h9-10H,1,4-7H2,2-3H3;2*1-2H3
InChIKeyGYBGWMYBROBYFF-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbut-3-enyl)oxolane;ethane?
The IUPAC name of 3-(2,3-dimethylbut-3-enyl)oxolane;ethane (CID 143750463) is 3-(2,3-dimethylbut-3-enyl)oxolane;ethane.
What is the SMILES notation for 3-(2,3-dimethylbut-3-enyl)oxolane;ethane?
The canonical SMILES for 3-(2,3-dimethylbut-3-enyl)oxolane;ethane is C=C(C)C(C)CC1CCOC1.CC.CC.
What is the InChIKey of 3-(2,3-dimethylbut-3-enyl)oxolane;ethane?
The InChIKey is GYBGWMYBROBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.2C2H6/c1-8(2)9(3)6-10-4-5-11-7-10;2*1-2/h9-10H,1,4-7H2,2-3H3;2*1-2H3.
What are the key properties of 3-(2,3-dimethylbut-3-enyl)oxolane;ethane?
3-(2,3-dimethylbut-3-enyl)oxolane;ethane has a molecular weight of 214.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbut-3-enyl)oxolane;ethane is sourced from PubChem (CID 143750463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).