3-but-2-enyl-5-methyloxane

C10H18O — CID 59704097

IUPAC3-but-2-enyl-5-methyloxane
SMILESCC=CCC1COCC(C)C1
InChIInChI=1S/C10H18O/c1-3-4-5-10-6-9(2)7-11-8-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMTBFGLQDVXMDJM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.63
Rot. Bonds2

About 3-but-2-enyl-5-methyloxane

3-but-2-enyl-5-methyloxane (PubChem CID 59704097) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-but-2-enyl-5-methyloxane.

Molecular Properties

Compound Name3-but-2-enyl-5-methyloxane
PubChem CID59704097
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-but-2-enyl-5-methyloxane
SMILESCC=CCC1COCC(C)C1
InChIInChI=1S/C10H18O/c1-3-4-5-10-6-9(2)7-11-8-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMTBFGLQDVXMDJM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-but-2-enyl-5-methyloxane?
The IUPAC name of 3-but-2-enyl-5-methyloxane (CID 59704097) is 3-but-2-enyl-5-methyloxane.
What is the SMILES notation for 3-but-2-enyl-5-methyloxane?
The canonical SMILES for 3-but-2-enyl-5-methyloxane is CC=CCC1COCC(C)C1.
What is the InChIKey of 3-but-2-enyl-5-methyloxane?
The InChIKey is MTBFGLQDVXMDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-10-6-9(2)7-11-8-10/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-but-2-enyl-5-methyloxane?
3-but-2-enyl-5-methyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-5-methyloxane is sourced from PubChem (CID 59704097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).