3-[(E)-3,3-dimethylbut-1-enyl]oxolane

C10H18O — CID 118487558

IUPAC3-[(E)-3,3-dimethylbut-1-enyl]oxolane
SMILESCC(C)(C)/C=C/C1CCOC1
InChIInChI=1S/C10H18O/c1-10(2,3)6-4-9-5-7-11-8-9/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKeyRNAXTNPAWUWOKP-GQCTYLIASA-N
MW154.25 g/mol
LogP2.63
Rot. Bonds1

About 3-[(E)-3,3-dimethylbut-1-enyl]oxolane

3-[(E)-3,3-dimethylbut-1-enyl]oxolane (PubChem CID 118487558) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(E)-3,3-dimethylbut-1-enyl]oxolane.

Molecular Properties

Compound Name3-[(E)-3,3-dimethylbut-1-enyl]oxolane
PubChem CID118487558
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(E)-3,3-dimethylbut-1-enyl]oxolane
SMILESCC(C)(C)/C=C/C1CCOC1
InChIInChI=1S/C10H18O/c1-10(2,3)6-4-9-5-7-11-8-9/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKeyRNAXTNPAWUWOKP-GQCTYLIASA-N
XLogP2.63
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 ≤ 52.63
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)-3,3-dimethylbut-1-enyl]oxolane?
The IUPAC name of 3-[(E)-3,3-dimethylbut-1-enyl]oxolane (CID 118487558) is 3-[(E)-3,3-dimethylbut-1-enyl]oxolane.
What is the SMILES notation for 3-[(E)-3,3-dimethylbut-1-enyl]oxolane?
The canonical SMILES for 3-[(E)-3,3-dimethylbut-1-enyl]oxolane is CC(C)(C)/C=C/C1CCOC1.
What is the InChIKey of 3-[(E)-3,3-dimethylbut-1-enyl]oxolane?
The InChIKey is RNAXTNPAWUWOKP-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)6-4-9-5-7-11-8-9/h4,6,9H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 3-[(E)-3,3-dimethylbut-1-enyl]oxolane?
3-[(E)-3,3-dimethylbut-1-enyl]oxolane has a molecular weight of 154.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,3-dimethylbut-1-enyl]oxolane is sourced from PubChem (CID 118487558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).