17-methyloctadec-2-yne

C19H36 — CID 123546762

IUPAC17-methyloctadec-2-yne
SMILESCC#CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,6-18H2,1-3H3
InChIKeyZDLFAKZMDLRFPH-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.74
Rot. Bonds13

About 17-methyloctadec-2-yne

17-methyloctadec-2-yne (PubChem CID 123546762) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 17-methyloctadec-2-yne.

Molecular Properties

Compound Name17-methyloctadec-2-yne
PubChem CID123546762
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name17-methyloctadec-2-yne
SMILESCC#CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,6-18H2,1-3H3
InChIKeyZDLFAKZMDLRFPH-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.74
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

undeca-2,9-diyne
CID 13351096
16-methyloctadec-2-yne
CID 166512411
19-methylicos-11-yn-1-ol
CID 141402003
16-methylheptadec-9-yn-1-ol
CID 139685111
2-methyldec-8-yn-3-amine
CID 104811927
2,14-dimethylpentadeca-4,6-diyne
CID 166501283
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
Protein hydrolyzates, leather, reaction products with isostearoyl chloride
CID 90849558
12-methyltridec-1-yne
CID 10921423
14-ethyloctacos-2-yne
CID 22224296
6-methylheptanenitrile
CID 22036153

Frequently Asked Questions

What is the IUPAC name of 17-methyloctadec-2-yne?
The IUPAC name of 17-methyloctadec-2-yne (CID 123546762) is 17-methyloctadec-2-yne.
What is the SMILES notation for 17-methyloctadec-2-yne?
The canonical SMILES for 17-methyloctadec-2-yne is CC#CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 17-methyloctadec-2-yne?
The InChIKey is ZDLFAKZMDLRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,6-18H2,1-3H3.
What are the key properties of 17-methyloctadec-2-yne?
17-methyloctadec-2-yne has a molecular weight of 264.50 g/mol, XLogP of 6.74, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyloctadec-2-yne is sourced from PubChem (CID 123546762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).