5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane

C10H18O — CID 6436627

IUPAC5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane
SMILESC/C=C(/C)C1CCC(C)(C)O1
InChIInChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-
InChIKeyLPEYLSKLVYWOEQ-YVMONPNESA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds1

About 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane

5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane (PubChem CID 6436627) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane
PubChem CID6436627
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane
SMILESC/C=C(/C)C1CCC(C)(C)O1
InChIInChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-
InChIKeyLPEYLSKLVYWOEQ-YVMONPNESA-N
XLogP2.91
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 ≤ 52.91
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 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane (CID 6436627) is 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane is C/C=C(/C)C1CCC(C)(C)O1.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane?
The InChIKey is LPEYLSKLVYWOEQ-YVMONPNESA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane?
5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane is sourced from PubChem (CID 6436627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).