6-methyldodec-1-yne

C13H24 — CID 123369200

IUPAC6-methyldodec-1-yne
SMILESC#CCCCC(C)CCCCCC
InChIInChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h2,13H,4,6-12H2,1,3H3
InChIKeyGYZPEHZHFLFXQX-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.40
Rot. Bonds8

About 6-methyldodec-1-yne

6-methyldodec-1-yne (PubChem CID 123369200) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 6-methyldodec-1-yne.

Molecular Properties

Compound Name6-methyldodec-1-yne
PubChem CID123369200
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name6-methyldodec-1-yne
SMILESC#CCCCC(C)CCCCCC
InChIInChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h2,13H,4,6-12H2,1,3H3
InChIKeyGYZPEHZHFLFXQX-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 6-methyldodec-1-yne?
The IUPAC name of 6-methyldodec-1-yne (CID 123369200) is 6-methyldodec-1-yne.
What is the SMILES notation for 6-methyldodec-1-yne?
The canonical SMILES for 6-methyldodec-1-yne is C#CCCCC(C)CCCCCC.
What is the InChIKey of 6-methyldodec-1-yne?
The InChIKey is GYZPEHZHFLFXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h2,13H,4,6-12H2,1,3H3.
What are the key properties of 6-methyldodec-1-yne?
6-methyldodec-1-yne has a molecular weight of 180.34 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyldodec-1-yne is sourced from PubChem (CID 123369200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).