sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid

C21H29NaO2S — CID 173398907

IUPACsodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(CCCCCCc2ccccc2)s1.[H-].[Na+]
InChIInChI=1S/C21H28O2S.Na.H/c22-21(23)15-9-8-14-20-17-16-19(24-20)13-7-2-1-4-10-18-11-5-3-6-12-18;;/h3,5-6,11-12,16-17H,1-2,4,7-10,13-15H2,(H,22,23);;/q;+1;-1
InChIKeyAZLBWAUGZDPWQA-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.01
Rot. Bonds12

About sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid

sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid (PubChem CID 173398907) has the molecular formula C21H29NaO2S and a molecular weight of 368.52 g/mol. Its IUPAC name is sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid.

Molecular Properties

Compound Namesodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
PubChem CID173398907
Molecular FormulaC21H29NaO2S
Molecular Weight368.52 g/mol
Exact Mass368.18
IUPAC Namesodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(CCCCCCc2ccccc2)s1.[H-].[Na+]
InChIInChI=1S/C21H28O2S.Na.H/c22-21(23)15-9-8-14-20-17-16-19(24-20)13-7-2-1-4-10-18-11-5-3-6-12-18;;/h3,5-6,11-12,16-17H,1-2,4,7-10,13-15H2,(H,22,23);;/q;+1;-1
InChIKeyAZLBWAUGZDPWQA-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
15-phenylpentadecanoic acid
CID 2737151
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
5-[5-(5-phenylpentanoyl)thiophen-2-yl]pentylphosphonic acid
CID 141073841
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
10-(5-formylthiophen-2-yl)decanoic acid
CID 20555746

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid?
The IUPAC name of sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid (CID 173398907) is sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid.
What is the SMILES notation for sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid?
The canonical SMILES for sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid is O=C(O)CCCCc1ccc(CCCCCCc2ccccc2)s1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid?
The InChIKey is AZLBWAUGZDPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2S.Na.H/c22-21(23)15-9-8-14-20-17-16-19(24-20)13-7-2-1-4-10-18-11-5-3-6-12-18;;/h3,5-6,11-12,16-17H,1-2,4,7-10,13-15H2,(H,22,23);;/q;+1;-1.
What are the key properties of sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid?
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid has a molecular weight of 368.52 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid is sourced from PubChem (CID 173398907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).