7-butoxy-3,7-dimethyloct-1-ene

C14H28O — CID 71351148

IUPAC7-butoxy-3,7-dimethyloct-1-ene
SMILESC=CC(C)CCCC(C)(C)OCCCC
InChIInChI=1S/C14H28O/c1-6-8-12-15-14(4,5)11-9-10-13(3)7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyYKAPOOZFZFJKPH-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.57
Rot. Bonds9

About 7-butoxy-3,7-dimethyloct-1-ene

7-butoxy-3,7-dimethyloct-1-ene (PubChem CID 71351148) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 7-butoxy-3,7-dimethyloct-1-ene.

Molecular Properties

Compound Name7-butoxy-3,7-dimethyloct-1-ene
PubChem CID71351148
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name7-butoxy-3,7-dimethyloct-1-ene
SMILESC=CC(C)CCCC(C)(C)OCCCC
InChIInChI=1S/C14H28O/c1-6-8-12-15-14(4,5)11-9-10-13(3)7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyYKAPOOZFZFJKPH-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.57
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 7-butoxy-3,7-dimethyloct-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 7-butoxy-3,7-dimethyloct-1-ene?
The IUPAC name of 7-butoxy-3,7-dimethyloct-1-ene (CID 71351148) is 7-butoxy-3,7-dimethyloct-1-ene.
What is the SMILES notation for 7-butoxy-3,7-dimethyloct-1-ene?
The canonical SMILES for 7-butoxy-3,7-dimethyloct-1-ene is C=CC(C)CCCC(C)(C)OCCCC.
What is the InChIKey of 7-butoxy-3,7-dimethyloct-1-ene?
The InChIKey is YKAPOOZFZFJKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-8-12-15-14(4,5)11-9-10-13(3)7-2/h7,13H,2,6,8-12H2,1,3-5H3.
What are the key properties of 7-butoxy-3,7-dimethyloct-1-ene?
7-butoxy-3,7-dimethyloct-1-ene has a molecular weight of 212.38 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-3,7-dimethyloct-1-ene is sourced from PubChem (CID 71351148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).