dimethyl 2-ethyl-2-methylpentanedioate

C10H18O4 — CID 15921976

IUPACdimethyl 2-ethyl-2-methylpentanedioate
SMILESCCC(C)(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-5-10(2,9(12)14-4)7-6-8(11)13-3/h5-7H2,1-4H3
InChIKeyDALDENFZJPBBHY-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds5

About dimethyl 2-ethyl-2-methylpentanedioate

dimethyl 2-ethyl-2-methylpentanedioate (PubChem CID 15921976) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dimethyl 2-ethyl-2-methylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-ethyl-2-methylpentanedioate
PubChem CID15921976
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedimethyl 2-ethyl-2-methylpentanedioate
SMILESCCC(C)(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-5-10(2,9(12)14-4)7-6-8(11)13-3/h5-7H2,1-4H3
InChIKeyDALDENFZJPBBHY-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Dimethyl-pentanedioic acid dimethyl ester
CID 140489
Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
CID 87314
Trimethyl pentane-1,3,5-tricarboxylate
CID 225713
1,5-Dimethyl 2,2-dimethylpentanedioate
CID 83083
Trimethyl butane-1,2,4-tricarboxylate
CID 543737
Diethyl 3,3-dipropylpentanedioate
CID 118366787
Dimethyl 2,2-dimethylhexanedioate
CID 28400
Methyl 3,3-dimethyl-5-oxohexanoate
CID 12417695
1-Methyl (3R)-3-(2-methylpropyl)pentanedioate
CID 58420458
3-(2-Methoxy-2-oxoethyl)hexanoic acid
CID 550227
Dimethyl 3-propylpentanedioate
CID 21678125
Methyl 2,2,4-trimethylcaproate
CID 21679221

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-ethyl-2-methylpentanedioate?
The IUPAC name of dimethyl 2-ethyl-2-methylpentanedioate (CID 15921976) is dimethyl 2-ethyl-2-methylpentanedioate.
What is the SMILES notation for dimethyl 2-ethyl-2-methylpentanedioate?
The canonical SMILES for dimethyl 2-ethyl-2-methylpentanedioate is CCC(C)(CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-ethyl-2-methylpentanedioate?
The InChIKey is DALDENFZJPBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-10(2,9(12)14-4)7-6-8(11)13-3/h5-7H2,1-4H3.
What are the key properties of dimethyl 2-ethyl-2-methylpentanedioate?
dimethyl 2-ethyl-2-methylpentanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-ethyl-2-methylpentanedioate is sourced from PubChem (CID 15921976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).