dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate

C18H34O4 — CID 21337073

IUPACdimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)C(C)C(C)(C(=O)OC)C(C)C(C)C(C)C
InChIInChI=1S/C18H34O4/c1-11(2)12(3)13(4)18(8,16(20)22-10)14(5)17(6,7)15(19)21-9/h11-14H,1-10H3
InChIKeyHKSOKOAMTGYPEQ-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.93
Rot. Bonds7

About dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate

dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate (PubChem CID 21337073) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate
PubChem CID21337073
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Namedimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)C(C)C(C)(C(=O)OC)C(C)C(C)C(C)C
InChIInChI=1S/C18H34O4/c1-11(2)12(3)13(4)18(8,16(20)22-10)14(5)17(6,7)15(19)21-9/h11-14H,1-10H3
InChIKeyHKSOKOAMTGYPEQ-UHFFFAOYSA-N
XLogP3.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
dimethyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 2770979
Methyl camphorate sodium
CID 23720118
Glutaric acid, di(3,7-dimethyloctyl) ester
CID 91706570
dimethyl (1R,3S)-cycloheptane-1,3-dicarboxylate
CID 642991
Diethyl-3,3-diisobutyl glutarate
CID 18618080
Decanedioic acid bis(3,5,5-trimethylhexyl) ester
CID 53883781
Di-(3,5,5-tri-methylhexyl) azelate
CID 54328568
dimethyl (2S,4S)-2-methyl-4-propylpentanedioate
CID 59879627
1,3-Di(isobutoxycarbonyl)-2,4,4-trimethylpentane
CID 118496143
Dimethyl 2-pentylpentanedioate
CID 13493226
6-O-decyl 1-O-octyl 2,2,3-trimethylhexanedioate
CID 21119657

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate?
The IUPAC name of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate (CID 21337073) is dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate.
What is the SMILES notation for dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate?
The canonical SMILES for dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate is COC(=O)C(C)(C)C(C)C(C)(C(=O)OC)C(C)C(C)C(C)C.
What is the InChIKey of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate?
The InChIKey is HKSOKOAMTGYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-11(2)12(3)13(4)18(8,16(20)22-10)14(5)17(6,7)15(19)21-9/h11-14H,1-10H3.
What are the key properties of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate?
dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate has a molecular weight of 314.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate is sourced from PubChem (CID 21337073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).