5-butoxy-2,4-dimethylpent-1-ene

C11H22O — CID 89205246

IUPAC5-butoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)COCCCC
InChIInChI=1S/C11H22O/c1-5-6-7-12-9-11(4)8-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyZKZNVEZGYVLDSF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds7

About 5-butoxy-2,4-dimethylpent-1-ene

5-butoxy-2,4-dimethylpent-1-ene (PubChem CID 89205246) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-butoxy-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name5-butoxy-2,4-dimethylpent-1-ene
PubChem CID89205246
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name5-butoxy-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)COCCCC
InChIInChI=1S/C11H22O/c1-5-6-7-12-9-11(4)8-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyZKZNVEZGYVLDSF-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-butoxy-2,4-dimethylpent-1-ene 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 5-butoxy-2,4-dimethylpent-1-ene?
The IUPAC name of 5-butoxy-2,4-dimethylpent-1-ene (CID 89205246) is 5-butoxy-2,4-dimethylpent-1-ene.
What is the SMILES notation for 5-butoxy-2,4-dimethylpent-1-ene?
The canonical SMILES for 5-butoxy-2,4-dimethylpent-1-ene is C=C(C)CC(C)COCCCC.
What is the InChIKey of 5-butoxy-2,4-dimethylpent-1-ene?
The InChIKey is ZKZNVEZGYVLDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-6-7-12-9-11(4)8-10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 5-butoxy-2,4-dimethylpent-1-ene?
5-butoxy-2,4-dimethylpent-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2,4-dimethylpent-1-ene is sourced from PubChem (CID 89205246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).