2-[(Z)-but-2-en-2-yl]-4-methyloxane

C10H18O — CID 69450136

IUPAC2-[(Z)-but-2-en-2-yl]-4-methyloxane
SMILESC/C=C(/C)C1CC(C)CCO1
InChIInChI=1S/C10H18O/c1-4-9(3)10-7-8(2)5-6-11-10/h4,8,10H,5-7H2,1-3H3/b9-4-
InChIKeyUOBYJKZWGMGOGM-WTKPLQERSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 2-[(Z)-but-2-en-2-yl]-4-methyloxane

2-[(Z)-but-2-en-2-yl]-4-methyloxane (PubChem CID 69450136) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-4-methyloxane.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-4-methyloxane
PubChem CID69450136
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(Z)-but-2-en-2-yl]-4-methyloxane
SMILESC/C=C(/C)C1CC(C)CCO1
InChIInChI=1S/C10H18O/c1-4-9(3)10-7-8(2)5-6-11-10/h4,8,10H,5-7H2,1-3H3/b9-4-
InChIKeyUOBYJKZWGMGOGM-WTKPLQERSA-N
XLogP2.77
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 ≤ 52.77
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-[(Z)-but-2-en-2-yl]-4-methyloxane?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-4-methyloxane (CID 69450136) is 2-[(Z)-but-2-en-2-yl]-4-methyloxane.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-4-methyloxane?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-4-methyloxane is C/C=C(/C)C1CC(C)CCO1.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-4-methyloxane?
The InChIKey is UOBYJKZWGMGOGM-WTKPLQERSA-N. The full InChI is InChI=1S/C10H18O/c1-4-9(3)10-7-8(2)5-6-11-10/h4,8,10H,5-7H2,1-3H3/b9-4-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-4-methyloxane?
2-[(Z)-but-2-en-2-yl]-4-methyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-4-methyloxane is sourced from PubChem (CID 69450136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).