3-[(E)-but-2-enyl]-2,2-dimethyloxolane

C10H18O — CID 91992792

IUPAC3-[(E)-but-2-enyl]-2,2-dimethyloxolane
SMILESC/C=C/CC1CCOC1(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-9-7-8-11-10(9,2)3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyVVKRSGMXEOPJCT-SNAWJCMRSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About 3-[(E)-but-2-enyl]-2,2-dimethyloxolane

3-[(E)-but-2-enyl]-2,2-dimethyloxolane (PubChem CID 91992792) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]-2,2-dimethyloxolane
PubChem CID91992792
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(E)-but-2-enyl]-2,2-dimethyloxolane
SMILESC/C=C/CC1CCOC1(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-9-7-8-11-10(9,2)3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyVVKRSGMXEOPJCT-SNAWJCMRSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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-[(E)-but-2-enyl]-2,2-dimethyloxolane?
The IUPAC name of 3-[(E)-but-2-enyl]-2,2-dimethyloxolane (CID 91992792) is 3-[(E)-but-2-enyl]-2,2-dimethyloxolane.
What is the SMILES notation for 3-[(E)-but-2-enyl]-2,2-dimethyloxolane?
The canonical SMILES for 3-[(E)-but-2-enyl]-2,2-dimethyloxolane is C/C=C/CC1CCOC1(C)C.
What is the InChIKey of 3-[(E)-but-2-enyl]-2,2-dimethyloxolane?
The InChIKey is VVKRSGMXEOPJCT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-9-7-8-11-10(9,2)3/h4-5,9H,6-8H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-but-2-enyl]-2,2-dimethyloxolane?
3-[(E)-but-2-enyl]-2,2-dimethyloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enyl]-2,2-dimethyloxolane is sourced from PubChem (CID 91992792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).