potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride

C17H33KO4 — CID 174967968

IUPACpotassium;2-(2-tert-butyldecyl)propanedioic acid;hydride
SMILESCCCCCCCCC(CC(C(=O)O)C(=O)O)C(C)(C)C.[H-].[K+]
InChIInChI=1S/C17H32O4.K.H/c1-5-6-7-8-9-10-11-13(17(2,3)4)12-14(15(18)19)16(20)21;;/h13-14H,5-12H2,1-4H3,(H,18,19)(H,20,21);;/q;+1;-1
InChIKeySGWNFAMRYCBJKI-UHFFFAOYSA-N
MW340.55 g/mol
LogP1.69
Rot. Bonds11

About potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride

potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride (PubChem CID 174967968) has the molecular formula C17H33KO4 and a molecular weight of 340.55 g/mol. Its IUPAC name is potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride.

Molecular Properties

Compound Namepotassium;2-(2-tert-butyldecyl)propanedioic acid;hydride
PubChem CID174967968
Molecular FormulaC17H33KO4
Molecular Weight340.55 g/mol
Exact Mass340.20
IUPAC Namepotassium;2-(2-tert-butyldecyl)propanedioic acid;hydride
SMILESCCCCCCCCC(CC(C(=O)O)C(=O)O)C(C)(C)C.[H-].[K+]
InChIInChI=1S/C17H32O4.K.H/c1-5-6-7-8-9-10-11-13(17(2,3)4)12-14(15(18)19)16(20)21;;/h13-14H,5-12H2,1-4H3,(H,18,19)(H,20,21);;/q;+1;-1
InChIKeySGWNFAMRYCBJKI-UHFFFAOYSA-N
XLogP1.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 51.69
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

2-(2-tert-butyloctyl)propanedioic acid
CID 139415560
2-(2-tert-butylpentyl)propanedioic acid
CID 175225037
4-tert-butylundecanoic acid
CID 175010843
9-tert-butylhenicosane
CID 150708915
magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
CID 174967520
sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
CID 175226283
2-nonyl-4-tridecylpentanedioic acid
CID 87929882
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
calcium;2-(2-butyldodecyl)propanedioic acid;hydride
CID 174967651
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972

Frequently Asked Questions

What is the IUPAC name of potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride?
The IUPAC name of potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride (CID 174967968) is potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride.
What is the SMILES notation for potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride?
The canonical SMILES for potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride is CCCCCCCCC(CC(C(=O)O)C(=O)O)C(C)(C)C.[H-].[K+].
What is the InChIKey of potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride?
The InChIKey is SGWNFAMRYCBJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4.K.H/c1-5-6-7-8-9-10-11-13(17(2,3)4)12-14(15(18)19)16(20)21;;/h13-14H,5-12H2,1-4H3,(H,18,19)(H,20,21);;/q;+1;-1.
What are the key properties of potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride?
potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride has a molecular weight of 340.55 g/mol, XLogP of 1.69, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride is sourced from PubChem (CID 174967968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).