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

C10H18O — CID 138977860

IUPAC2-[(E)-3-methylbut-1-enyl]oxane
SMILESCC(C)/C=C/C1CCCCO1
InChIInChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+
InChIKeyVCKADQIXCILVMG-VOTSOKGWSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

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

2-[(E)-3-methylbut-1-enyl]oxane (PubChem CID 138977860) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]oxane
PubChem CID138977860
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(E)-3-methylbut-1-enyl]oxane
SMILESCC(C)/C=C/C1CCCCO1
InChIInChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+
InChIKeyVCKADQIXCILVMG-VOTSOKGWSA-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 2-[(E)-3-methylbut-1-enyl]oxane?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]oxane (CID 138977860) is 2-[(E)-3-methylbut-1-enyl]oxane.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]oxane?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]oxane is CC(C)/C=C/C1CCCCO1.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]oxane?
The InChIKey is VCKADQIXCILVMG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]oxane?
2-[(E)-3-methylbut-1-enyl]oxane 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 2-[(E)-3-methylbut-1-enyl]oxane is sourced from PubChem (CID 138977860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).