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

C19H38O4 — CID 161413673

IUPACdimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
SMILESC.COC(=O)C(C)(C)C(C)C(C)(C(=O)OC)C(C)C(C)C(C)C
InChIInChI=1S/C18H34O4.CH4/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;1H4
InChIKeyVVULEGZRXGHKJE-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.57
Rot. Bonds7

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

dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane (PubChem CID 161413673) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane.

Molecular Properties

Compound Namedimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
PubChem CID161413673
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Namedimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
SMILESC.COC(=O)C(C)(C)C(C)C(C)(C(=O)OC)C(C)C(C)C(C)C
InChIInChI=1S/C18H34O4.CH4/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;1H4
InChIKeyVVULEGZRXGHKJE-UHFFFAOYSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane?
The IUPAC name of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane (CID 161413673) is dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane.
What is the SMILES notation for dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane?
The canonical SMILES for dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane is C.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;methane?
The InChIKey is VVULEGZRXGHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4.CH4/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;1H4.
What are the key properties of dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane?
dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane has a molecular weight of 330.51 g/mol, XLogP of 4.57, 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;methane is sourced from PubChem (CID 161413673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).