ethanol;hexadeca-5,7-diynamide

C18H31NO2 — CID 87990154

IUPACethanol;hexadeca-5,7-diynamide
SMILESCCCCCCCCC#CC#CCCCC(N)=O.CCO
InChIInChI=1S/C16H25NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3/h2-8,13-15H2,1H3,(H2,17,18);3H,2H2,1H3
InChIKeyRNOSLGVLZZZLPR-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.40
Rot. Bonds9

About ethanol;hexadeca-5,7-diynamide

ethanol;hexadeca-5,7-diynamide (PubChem CID 87990154) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is ethanol;hexadeca-5,7-diynamide.

Molecular Properties

Compound Nameethanol;hexadeca-5,7-diynamide
PubChem CID87990154
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nameethanol;hexadeca-5,7-diynamide
SMILESCCCCCCCCC#CC#CCCCC(N)=O.CCO
InChIInChI=1S/C16H25NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3/h2-8,13-15H2,1H3,(H2,17,18);3H,2H2,1H3
InChIKeyRNOSLGVLZZZLPR-UHFFFAOYSA-N
XLogP3.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethanol;tridecanamide
CID 174935457
zinc bis(octadeca-5,7-diynoate)
CID 21264952
docosa-4,6-diynoic acid
CID 155657987
hentriaconta-12,14-diynoic acid
CID 134916943
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
octadeca-8,10-diynoic acid
CID 5312666
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
dodeca-2,4-diyn-1-ol
CID 11816199
octadeca-8,10-diynoyl chloride
CID 87770394
nonacosanamide
CID 21105912

Frequently Asked Questions

What is the IUPAC name of ethanol;hexadeca-5,7-diynamide?
The IUPAC name of ethanol;hexadeca-5,7-diynamide (CID 87990154) is ethanol;hexadeca-5,7-diynamide.
What is the SMILES notation for ethanol;hexadeca-5,7-diynamide?
The canonical SMILES for ethanol;hexadeca-5,7-diynamide is CCCCCCCCC#CC#CCCCC(N)=O.CCO.
What is the InChIKey of ethanol;hexadeca-5,7-diynamide?
The InChIKey is RNOSLGVLZZZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3/h2-8,13-15H2,1H3,(H2,17,18);3H,2H2,1H3.
What are the key properties of ethanol;hexadeca-5,7-diynamide?
ethanol;hexadeca-5,7-diynamide has a molecular weight of 293.45 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexadeca-5,7-diynamide is sourced from PubChem (CID 87990154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).