2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid

C16H30O4 — CID 87921262

IUPAC2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
SMILESCC(C)CC(CC(C)C)(C(=O)O)C(CC(=O)O)C(C)C
InChIInChI=1S/C16H30O4/c1-10(2)8-16(15(19)20,9-11(3)4)13(12(5)6)7-14(17)18/h10-13H,7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyMYWNVVPTMCJCLZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.90
Rot. Bonds9

About 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid

2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid (PubChem CID 87921262) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid.

Molecular Properties

Compound Name2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
PubChem CID87921262
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
SMILESCC(C)CC(CC(C)C)(C(=O)O)C(CC(=O)O)C(C)C
InChIInChI=1S/C16H30O4/c1-10(2)8-16(15(19)20,9-11(3)4)13(12(5)6)7-14(17)18/h10-13H,7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyMYWNVVPTMCJCLZ-UHFFFAOYSA-N
XLogP3.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid
CID 95022408
3-methylbutanoic acid
CID 20849036
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
hydrazine;3-methylbutanoic acid
CID 175217584
2,2,3,3,4-pentamethylhexanedioic acid
CID 88799291
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
CID 114998070
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
(2S)-2-[2,3-dihydroxypropylsulfanyl(hydroxy)methyl]-2-(hydroxymethyl)-4-methylpentanoic acid
CID 174240039

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid?
The IUPAC name of 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid (CID 87921262) is 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid.
What is the SMILES notation for 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid?
The canonical SMILES for 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid is CC(C)CC(CC(C)C)(C(=O)O)C(CC(=O)O)C(C)C.
What is the InChIKey of 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid?
The InChIKey is MYWNVVPTMCJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-10(2)8-16(15(19)20,9-11(3)4)13(12(5)6)7-14(17)18/h10-13H,7-9H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid?
2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid is sourced from PubChem (CID 87921262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).