16-methyloctadec-2-yne

C19H36 — CID 166512411

IUPAC16-methyloctadec-2-yne
SMILESCC#CCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C19H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,5,7-18H2,1-3H3
InChIKeyUOPJHNPGBFBPAM-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.74
Rot. Bonds13

About 16-methyloctadec-2-yne

16-methyloctadec-2-yne (PubChem CID 166512411) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 16-methyloctadec-2-yne.

Molecular Properties

Compound Name16-methyloctadec-2-yne
PubChem CID166512411
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name16-methyloctadec-2-yne
SMILESCC#CCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C19H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,5,7-18H2,1-3H3
InChIKeyUOPJHNPGBFBPAM-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

7-methylnon-2-yne
CID 54177152
17-methyloctadec-2-yne
CID 123546762
21,27-dimethylnonacosanenitrile
CID 527379
undeca-2,9-diyne
CID 13351096
14-ethyloctacos-2-yne
CID 22224296
18,21-dimethyloctacos-12-yne
CID 22224150
non-7-yn-3-amine
CID 64503451
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417

Frequently Asked Questions

What is the IUPAC name of 16-methyloctadec-2-yne?
The IUPAC name of 16-methyloctadec-2-yne (CID 166512411) is 16-methyloctadec-2-yne.
What is the SMILES notation for 16-methyloctadec-2-yne?
The canonical SMILES for 16-methyloctadec-2-yne is CC#CCCCCCCCCCCCCC(C)CC.
What is the InChIKey of 16-methyloctadec-2-yne?
The InChIKey is UOPJHNPGBFBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,5,7-18H2,1-3H3.
What are the key properties of 16-methyloctadec-2-yne?
16-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 16-methyloctadec-2-yne is sourced from PubChem (CID 166512411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).