7-butylundec-1-ene

C15H30 — CID 174048295

IUPAC7-butylundec-1-ene
SMILESC=CCCCCC(CCCC)CCCC
InChIInChI=1S/C15H30/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyQPLLLVJECCRPKI-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds11

About 7-butylundec-1-ene

7-butylundec-1-ene (PubChem CID 174048295) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7-butylundec-1-ene.

Molecular Properties

Compound Name7-butylundec-1-ene
PubChem CID174048295
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7-butylundec-1-ene
SMILESC=CCCCCC(CCCC)CCCC
InChIInChI=1S/C15H30/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,15H,1,5-14H2,2-3H3
InChIKeyQPLLLVJECCRPKI-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-butylundec-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

Related Compounds

9-butyltetracosane;icosane;oct-1-ene
CID 159857155
7-propylundec-1-ene
CID 174048285
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
6-propyldec-1-ene
CID 22251175
9-propyldodec-1-ene
CID 174048054
2-butylundec-10-en-1-amine
CID 87482538
8-ethylpentadec-1-ene
CID 91081893
9-ethylhexadec-1-ene
CID 163949602
10-ethyldocos-1-ene
CID 91804827
7-methylundec-1-ene
CID 522554

Frequently Asked Questions

What is the IUPAC name of 7-butylundec-1-ene?
The IUPAC name of 7-butylundec-1-ene (CID 174048295) is 7-butylundec-1-ene.
What is the SMILES notation for 7-butylundec-1-ene?
The canonical SMILES for 7-butylundec-1-ene is C=CCCCCC(CCCC)CCCC.
What is the InChIKey of 7-butylundec-1-ene?
The InChIKey is QPLLLVJECCRPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,15H,1,5-14H2,2-3H3.
What are the key properties of 7-butylundec-1-ene?
7-butylundec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylundec-1-ene is sourced from PubChem (CID 174048295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).