2-[(E)-3-methylbut-1-enyl]oxolane

C9H16O — CID 13076955

IUPAC2-[(E)-3-methylbut-1-enyl]oxolane
SMILESCC(C)/C=C/C1CCCO1
InChIInChI=1S/C9H16O/c1-8(2)5-6-9-4-3-7-10-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKeyAUHUIICOJADMSB-AATRIKPKSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About 2-[(E)-3-methylbut-1-enyl]oxolane

2-[(E)-3-methylbut-1-enyl]oxolane (PubChem CID 13076955) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]oxolane
PubChem CID13076955
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(E)-3-methylbut-1-enyl]oxolane
SMILESCC(C)/C=C/C1CCCO1
InChIInChI=1S/C9H16O/c1-8(2)5-6-9-4-3-7-10-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKeyAUHUIICOJADMSB-AATRIKPKSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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 2-[(E)-3-methylbut-1-enyl]oxolane?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]oxolane (CID 13076955) is 2-[(E)-3-methylbut-1-enyl]oxolane.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]oxolane?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]oxolane is CC(C)/C=C/C1CCCO1.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]oxolane?
The InChIKey is AUHUIICOJADMSB-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)5-6-9-4-3-7-10-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]oxolane?
2-[(E)-3-methylbut-1-enyl]oxolane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]oxolane is sourced from PubChem (CID 13076955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).