sodium;hydride;2-(2-propyltetradecyl)propanedioic acid

C20H39NaO4 — CID 174968853

IUPACsodium;hydride;2-(2-propyltetradecyl)propanedioic acid
SMILESCCCCCCCCCCCCC(CCC)CC(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C20H38O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15-17(14-4-2)16-18(19(21)22)20(23)24;;/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyNCFAJWOJUZUUHH-UHFFFAOYSA-N
MW366.52 g/mol
LogP3.01
Rot. Bonds17

About sodium;hydride;2-(2-propyltetradecyl)propanedioic acid

sodium;hydride;2-(2-propyltetradecyl)propanedioic acid (PubChem CID 174968853) has the molecular formula C20H39NaO4 and a molecular weight of 366.52 g/mol. Its IUPAC name is sodium;hydride;2-(2-propyltetradecyl)propanedioic acid.

Molecular Properties

Compound Namesodium;hydride;2-(2-propyltetradecyl)propanedioic acid
PubChem CID174968853
Molecular FormulaC20H39NaO4
Molecular Weight366.52 g/mol
Exact Mass366.27
IUPAC Namesodium;hydride;2-(2-propyltetradecyl)propanedioic acid
SMILESCCCCCCCCCCCCC(CCC)CC(C(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C20H38O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15-17(14-4-2)16-18(19(21)22)20(23)24;;/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyNCFAJWOJUZUUHH-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
CID 175226283
magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
CID 174967520
calcium;2-(2-butyldodecyl)propanedioic acid;hydride
CID 174967651
2-(2-butyltetradecyl)propanedioic acid
CID 174968707
2-(8-methyl-2-propylnonyl)propanedioic acid
CID 18769237
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-methyl-10-(2-propylheptyl)undecanedioic acid
CID 87578743
9-hexyl-7-propylheptadecane
CID 91243882
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
2-decyl-4-hexyldodecanoic acid
CID 23195131
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(2-propyltetradecyl)propanedioic acid?
The IUPAC name of sodium;hydride;2-(2-propyltetradecyl)propanedioic acid (CID 174968853) is sodium;hydride;2-(2-propyltetradecyl)propanedioic acid.
What is the SMILES notation for sodium;hydride;2-(2-propyltetradecyl)propanedioic acid?
The canonical SMILES for sodium;hydride;2-(2-propyltetradecyl)propanedioic acid is CCCCCCCCCCCCC(CCC)CC(C(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(2-propyltetradecyl)propanedioic acid?
The InChIKey is NCFAJWOJUZUUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15-17(14-4-2)16-18(19(21)22)20(23)24;;/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(2-propyltetradecyl)propanedioic acid?
sodium;hydride;2-(2-propyltetradecyl)propanedioic acid has a molecular weight of 366.52 g/mol, XLogP of 3.01, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(2-propyltetradecyl)propanedioic acid is sourced from PubChem (CID 174968853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).