(3R)-3,4-dimethyloxolane;ethene

C8H16O — CID 145261700

IUPAC(3R)-3,4-dimethyloxolane;ethene
SMILESC=C.CC1COC[C@@H]1C
InChIInChI=1S/C6H12O.C2H4/c1-5-3-7-4-6(5)2;1-2/h5-6H,3-4H2,1-2H3;1-2H2/t5-,6?;/m0./s1
InChIKeyQDASRKDEYWIMKR-GNVLWMSISA-N
MW128.22 g/mol
LogP2.09
Rot. Bonds

About (3R)-3,4-dimethyloxolane;ethene

(3R)-3,4-dimethyloxolane;ethene (PubChem CID 145261700) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (3R)-3,4-dimethyloxolane;ethene.

Molecular Properties

Compound Name(3R)-3,4-dimethyloxolane;ethene
PubChem CID145261700
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(3R)-3,4-dimethyloxolane;ethene
SMILESC=C.CC1COC[C@@H]1C
InChIInChI=1S/C6H12O.C2H4/c1-5-3-7-4-6(5)2;1-2/h5-6H,3-4H2,1-2H3;1-2H2/t5-,6?;/m0./s1
InChIKeyQDASRKDEYWIMKR-GNVLWMSISA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.09
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 (3R)-3,4-dimethyloxolane;ethene?
The IUPAC name of (3R)-3,4-dimethyloxolane;ethene (CID 145261700) is (3R)-3,4-dimethyloxolane;ethene.
What is the SMILES notation for (3R)-3,4-dimethyloxolane;ethene?
The canonical SMILES for (3R)-3,4-dimethyloxolane;ethene is C=C.CC1COC[C@@H]1C.
What is the InChIKey of (3R)-3,4-dimethyloxolane;ethene?
The InChIKey is QDASRKDEYWIMKR-GNVLWMSISA-N. The full InChI is InChI=1S/C6H12O.C2H4/c1-5-3-7-4-6(5)2;1-2/h5-6H,3-4H2,1-2H3;1-2H2/t5-,6?;/m0./s1.
What are the key properties of (3R)-3,4-dimethyloxolane;ethene?
(3R)-3,4-dimethyloxolane;ethene has a molecular weight of 128.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyloxolane;ethene is sourced from PubChem (CID 145261700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).