7-methylundec-1-ene

C12H24 — CID 522554

IUPAC7-methylundec-1-ene
SMILESC=CCCCCC(C)CCCC
InChIInChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h4,12H,1,5-11H2,2-3H3
InChIKeyGYQYQZAGFHPROD-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds8

About 7-methylundec-1-ene

7-methylundec-1-ene (PubChem CID 522554) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 7-methylundec-1-ene.

Molecular Properties

Compound Name7-methylundec-1-ene
PubChem CID522554
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name7-methylundec-1-ene
SMILESC=CCCCCC(C)CCCC
InChIInChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h4,12H,1,5-11H2,2-3H3
InChIKeyGYQYQZAGFHPROD-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
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'}

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Related Compounds

8-methylnonadec-1-ene
CID 90877384
13-methylhexadec-1-ene
CID 71373615
14,18,22-trimethylpentacos-1-ene
CID 91259502
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
7-butylundec-1-ene
CID 174048295
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
7-propylundec-1-ene
CID 174048285
12-pentyltricosa-1,22-diene
CID 102409743
7-pentyltridec-1-ene
CID 123620244

Frequently Asked Questions

What is the IUPAC name of 7-methylundec-1-ene?
The IUPAC name of 7-methylundec-1-ene (CID 522554) is 7-methylundec-1-ene.
What is the SMILES notation for 7-methylundec-1-ene?
The canonical SMILES for 7-methylundec-1-ene is C=CCCCCC(C)CCCC.
What is the InChIKey of 7-methylundec-1-ene?
The InChIKey is GYQYQZAGFHPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 7-methylundec-1-ene?
7-methylundec-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylundec-1-ene is sourced from PubChem (CID 522554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).