1-but-3-en-2-yloxy-3-methoxy-3-methylbutane

C10H20O2 — CID 44602847

IUPAC1-but-3-en-2-yloxy-3-methoxy-3-methylbutane
SMILESC=CC(C)OCCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-6-9(2)12-8-7-10(3,4)11-5/h6,9H,1,7-8H2,2-5H3
InChIKeyCTEQCXPKFCBRQG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds6

About 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane

1-but-3-en-2-yloxy-3-methoxy-3-methylbutane (PubChem CID 44602847) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-but-3-en-2-yloxy-3-methoxy-3-methylbutane
PubChem CID44602847
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-but-3-en-2-yloxy-3-methoxy-3-methylbutane
SMILESC=CC(C)OCCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-6-9(2)12-8-7-10(3,4)11-5/h6,9H,1,7-8H2,2-5H3
InChIKeyCTEQCXPKFCBRQG-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane?
The IUPAC name of 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane (CID 44602847) is 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane?
The canonical SMILES for 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane is C=CC(C)OCCC(C)(C)OC.
What is the InChIKey of 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane?
The InChIKey is CTEQCXPKFCBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-9(2)12-8-7-10(3,4)11-5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane?
1-but-3-en-2-yloxy-3-methoxy-3-methylbutane has a molecular weight of 172.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yloxy-3-methoxy-3-methylbutane is sourced from PubChem (CID 44602847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).