3,3-dimethyl-2-propan-2-ylpentanedioic acid

C10H18O4 — CID 134364123

IUPAC3,3-dimethyl-2-propan-2-ylpentanedioic acid
SMILESCC(C)C(C(=O)O)C(C)(C)CC(=O)O
InChIInChI=1S/C10H18O4/c1-6(2)8(9(13)14)10(3,4)5-7(11)12/h6,8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyVTFSYIVMPFIRBH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.84
Rot. Bonds5

About 3,3-dimethyl-2-propan-2-ylpentanedioic acid

3,3-dimethyl-2-propan-2-ylpentanedioic acid (PubChem CID 134364123) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-ylpentanedioic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-ylpentanedioic acid
PubChem CID134364123
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3,3-dimethyl-2-propan-2-ylpentanedioic acid
SMILESCC(C)C(C(=O)O)C(C)(C)CC(=O)O
InChIInChI=1S/C10H18O4/c1-6(2)8(9(13)14)10(3,4)5-7(11)12/h6,8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyVTFSYIVMPFIRBH-UHFFFAOYSA-N
XLogP1.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-ylpentanedioic acid?
The IUPAC name of 3,3-dimethyl-2-propan-2-ylpentanedioic acid (CID 134364123) is 3,3-dimethyl-2-propan-2-ylpentanedioic acid.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-ylpentanedioic acid?
The canonical SMILES for 3,3-dimethyl-2-propan-2-ylpentanedioic acid is CC(C)C(C(=O)O)C(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-2-propan-2-ylpentanedioic acid?
The InChIKey is VTFSYIVMPFIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)8(9(13)14)10(3,4)5-7(11)12/h6,8H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3,3-dimethyl-2-propan-2-ylpentanedioic acid?
3,3-dimethyl-2-propan-2-ylpentanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-ylpentanedioic acid is sourced from PubChem (CID 134364123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).