2-methyl-6-[(E)-prop-1-enyl]oxane

C9H16O — CID 14447586

IUPAC2-methyl-6-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCCC(C)O1
InChIInChI=1S/C9H16O/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyNFIJVVBIDZDJGG-HWKANZROSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 2-methyl-6-[(E)-prop-1-enyl]oxane

2-methyl-6-[(E)-prop-1-enyl]oxane (PubChem CID 14447586) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-6-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name2-methyl-6-[(E)-prop-1-enyl]oxane
PubChem CID14447586
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-6-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCCC(C)O1
InChIInChI=1S/C9H16O/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyNFIJVVBIDZDJGG-HWKANZROSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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-methyl-6-[(E)-prop-1-enyl]oxane?
The IUPAC name of 2-methyl-6-[(E)-prop-1-enyl]oxane (CID 14447586) is 2-methyl-6-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 2-methyl-6-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 2-methyl-6-[(E)-prop-1-enyl]oxane is C/C=C/C1CCCC(C)O1.
What is the InChIKey of 2-methyl-6-[(E)-prop-1-enyl]oxane?
The InChIKey is NFIJVVBIDZDJGG-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-methyl-6-[(E)-prop-1-enyl]oxane?
2-methyl-6-[(E)-prop-1-enyl]oxane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 14447586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).