3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane

C11H20O — CID 59018701

IUPAC3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane
SMILESCC/C=C/CC1OCC(C)C1C
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+
InChIKeyCZHXETLBCLKVND-AATRIKPKSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds3

About 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane

3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane (PubChem CID 59018701) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane.

Molecular Properties

Compound Name3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane
PubChem CID59018701
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane
SMILESCC/C=C/CC1OCC(C)C1C
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+
InChIKeyCZHXETLBCLKVND-AATRIKPKSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The IUPAC name of 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane (CID 59018701) is 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane.
What is the SMILES notation for 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The canonical SMILES for 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane is CC/C=C/CC1OCC(C)C1C.
What is the InChIKey of 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane?
The InChIKey is CZHXETLBCLKVND-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h5-6,9-11H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane?
3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-[(E)-pent-2-enyl]oxolane is sourced from PubChem (CID 59018701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).