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

C9H18O — CID 87270981

IUPAC1-but-3-en-2-yloxy-3-methylbutane
SMILESC=CC(C)OCCC(C)C
InChIInChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyRNGPPUGQJPJJGH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds5

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

1-but-3-en-2-yloxy-3-methylbutane (PubChem CID 87270981) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-but-3-en-2-yloxy-3-methylbutane.

Molecular Properties

Compound Name1-but-3-en-2-yloxy-3-methylbutane
PubChem CID87270981
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-but-3-en-2-yloxy-3-methylbutane
SMILESC=CC(C)OCCC(C)C
InChIInChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyRNGPPUGQJPJJGH-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-3-en-2-yloxy-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

Related Compounds

3-(2-fluoroethoxy)but-1-ene
CID 147901946
3-but-3-en-2-yloxypropyl(trimethyl)silane
CID 175392433
3-methylbutoxymethanediol
CID 54490534
1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine
CID 146213476
1-(3-methylbutoxy)ethyl formate
CID 173200690
3,6-dimethylhept-1-ene
CID 18443713
1-but-3-en-2-yloxy-N-propan-2-yloxymethanamine
CID 163800021
ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
CID 174750448
but-3-en-2-yloxy-ethyl-dimethylsilane
CID 142673739
1-(4-bromobutan-2-yloxy)-3-methylbutane
CID 131855692
1-ethenoxy-4-methylpentane
CID 22665202
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yloxy-3-methylbutane?
The IUPAC name of 1-but-3-en-2-yloxy-3-methylbutane (CID 87270981) is 1-but-3-en-2-yloxy-3-methylbutane.
What is the SMILES notation for 1-but-3-en-2-yloxy-3-methylbutane?
The canonical SMILES for 1-but-3-en-2-yloxy-3-methylbutane is C=CC(C)OCCC(C)C.
What is the InChIKey of 1-but-3-en-2-yloxy-3-methylbutane?
The InChIKey is RNGPPUGQJPJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-9(4)10-7-6-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-but-3-en-2-yloxy-3-methylbutane?
1-but-3-en-2-yloxy-3-methylbutane has a molecular weight of 142.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yloxy-3-methylbutane is sourced from PubChem (CID 87270981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).