dichloro 2,2-dimethylpentanedioate

C7H10Cl2O4 — CID 175435884

IUPACdichloro 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)OCl)C(=O)OCl
InChIInChI=1S/C7H10Cl2O4/c1-7(2,6(11)13-9)4-3-5(10)12-8/h3-4H2,1-2H3
InChIKeyANHHXNBSDMDBIN-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.19
Rot. Bonds4

About dichloro 2,2-dimethylpentanedioate

dichloro 2,2-dimethylpentanedioate (PubChem CID 175435884) has the molecular formula C7H10Cl2O4 and a molecular weight of 229.06 g/mol. Its IUPAC name is dichloro 2,2-dimethylpentanedioate.

Molecular Properties

Compound Namedichloro 2,2-dimethylpentanedioate
PubChem CID175435884
Molecular FormulaC7H10Cl2O4
Molecular Weight229.06 g/mol
Exact Mass228.00
IUPAC Namedichloro 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)OCl)C(=O)OCl
InChIInChI=1S/C7H10Cl2O4/c1-7(2,6(11)13-9)4-3-5(10)12-8/h3-4H2,1-2H3
InChIKeyANHHXNBSDMDBIN-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

chloro butanoate;silver
CID 175006777
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643
dimethyl 2,2-dimethylhexanedioate
CID 28400
3-chlorooxy-2,2-dimethyl-3-oxopropanoic acid
CID 87502943
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
CID 135339214
5-(4-carboxy-2,2-dimethylbutanoyl)oxy-4,4-dimethyl-5-oxopentanoic acid;5-(4-carboxy-3,3-dimethylbutanoyl)oxy-3,3-dimethyl-5-oxopentanoic acid
CID 129073634
dichloro 3-methylhexanedioate
CID 88838757
chloro pent-3-enoate
CID 174877154
4,4-dimethyl-5-oxohexanoyl chloride
CID 19354061
4-O-chloro 1-O-formyl butanedioate
CID 57452790
2,2,2-trichloroethyl 4,4-dimethylpentanoate
CID 58459608

Frequently Asked Questions

What is the IUPAC name of dichloro 2,2-dimethylpentanedioate?
The IUPAC name of dichloro 2,2-dimethylpentanedioate (CID 175435884) is dichloro 2,2-dimethylpentanedioate.
What is the SMILES notation for dichloro 2,2-dimethylpentanedioate?
The canonical SMILES for dichloro 2,2-dimethylpentanedioate is CC(C)(CCC(=O)OCl)C(=O)OCl.
What is the InChIKey of dichloro 2,2-dimethylpentanedioate?
The InChIKey is ANHHXNBSDMDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O4/c1-7(2,6(11)13-9)4-3-5(10)12-8/h3-4H2,1-2H3.
What are the key properties of dichloro 2,2-dimethylpentanedioate?
dichloro 2,2-dimethylpentanedioate has a molecular weight of 229.06 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro 2,2-dimethylpentanedioate is sourced from PubChem (CID 175435884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).