14-ethyloctacos-2-yne

C30H58 — CID 22224296

IUPAC14-ethyloctacos-2-yne
SMILESCC#CCCCCCCCCCCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C30H58/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-30(6-3)28-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4,6-7,9-29H2,1-3H3
InChIKeyPYTSMCHMJYDHTO-UHFFFAOYSA-N
MW418.79 g/mol
LogP11.03
Rot. Bonds24

About 14-ethyloctacos-2-yne

14-ethyloctacos-2-yne (PubChem CID 22224296) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is 14-ethyloctacos-2-yne.

Molecular Properties

Compound Name14-ethyloctacos-2-yne
PubChem CID22224296
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Name14-ethyloctacos-2-yne
SMILESCC#CCCCCCCCCCCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C30H58/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-30(6-3)28-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4,6-7,9-29H2,1-3H3
InChIKeyPYTSMCHMJYDHTO-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 511.03
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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
11-propylicos-5-yne
CID 22224119
8-(3-ethylhexyl)hexadecane
CID 123944120
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
16-methyloctadec-2-yne
CID 166512411
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of 14-ethyloctacos-2-yne?
The IUPAC name of 14-ethyloctacos-2-yne (CID 22224296) is 14-ethyloctacos-2-yne.
What is the SMILES notation for 14-ethyloctacos-2-yne?
The canonical SMILES for 14-ethyloctacos-2-yne is CC#CCCCCCCCCCCC(CC)CCCCCCCCCCCCCC.
What is the InChIKey of 14-ethyloctacos-2-yne?
The InChIKey is PYTSMCHMJYDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-30(6-3)28-26-24-22-20-18-16-14-12-10-8-5-2/h30H,4,6-7,9-29H2,1-3H3.
What are the key properties of 14-ethyloctacos-2-yne?
14-ethyloctacos-2-yne has a molecular weight of 418.79 g/mol, XLogP of 11.03, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyloctacos-2-yne is sourced from PubChem (CID 22224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).