2,10-diethyl-2,10-dimethylundecanedioic acid

C17H32O4 — CID 3069696

IUPAC2,10-diethyl-2,10-dimethylundecanedioic acid
SMILESCCC(C)(CCCCCCCC(C)(CC)C(=O)O)C(=O)O
InChIInChI=1S/C17H32O4/c1-5-16(3,14(18)19)12-10-8-7-9-11-13-17(4,6-2)15(20)21/h5-13H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyRZLJOODBPHKSCF-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.72
Rot. Bonds12

About 2,10-diethyl-2,10-dimethylundecanedioic acid

2,10-diethyl-2,10-dimethylundecanedioic acid (PubChem CID 3069696) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2,10-diethyl-2,10-dimethylundecanedioic acid.

Molecular Properties

Compound Name2,10-diethyl-2,10-dimethylundecanedioic acid
PubChem CID3069696
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name2,10-diethyl-2,10-dimethylundecanedioic acid
SMILESCCC(C)(CCCCCCCC(C)(CC)C(=O)O)C(=O)O
InChIInChI=1S/C17H32O4/c1-5-16(3,14(18)19)12-10-8-7-9-11-13-17(4,6-2)15(20)21/h5-13H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyRZLJOODBPHKSCF-UHFFFAOYSA-N
XLogP4.72
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-diethyl-2,10-dimethylundecanedioic acid?
The IUPAC name of 2,10-diethyl-2,10-dimethylundecanedioic acid (CID 3069696) is 2,10-diethyl-2,10-dimethylundecanedioic acid.
What is the SMILES notation for 2,10-diethyl-2,10-dimethylundecanedioic acid?
The canonical SMILES for 2,10-diethyl-2,10-dimethylundecanedioic acid is CCC(C)(CCCCCCCC(C)(CC)C(=O)O)C(=O)O.
What is the InChIKey of 2,10-diethyl-2,10-dimethylundecanedioic acid?
The InChIKey is RZLJOODBPHKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-5-16(3,14(18)19)12-10-8-7-9-11-13-17(4,6-2)15(20)21/h5-13H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2,10-diethyl-2,10-dimethylundecanedioic acid?
2,10-diethyl-2,10-dimethylundecanedioic acid has a molecular weight of 300.44 g/mol, XLogP of 4.72, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diethyl-2,10-dimethylundecanedioic acid is sourced from PubChem (CID 3069696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).