2-methylpropyl dipropan-2-yl methanetricarboxylate

C14H24O6 — CID 14383844

IUPAC2-methylpropyl dipropan-2-yl methanetricarboxylate
SMILESCC(C)COC(=O)C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O6/c1-8(2)7-18-12(15)11(13(16)19-9(3)4)14(17)20-10(5)6/h8-11H,7H2,1-6H3
InChIKeyWQJRTXAFGFDDDQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.71
Rot. Bonds7

About 2-methylpropyl dipropan-2-yl methanetricarboxylate

2-methylpropyl dipropan-2-yl methanetricarboxylate (PubChem CID 14383844) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-methylpropyl dipropan-2-yl methanetricarboxylate.

Molecular Properties

Compound Name2-methylpropyl dipropan-2-yl methanetricarboxylate
PubChem CID14383844
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-methylpropyl dipropan-2-yl methanetricarboxylate
SMILESCC(C)COC(=O)C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O6/c1-8(2)7-18-12(15)11(13(16)19-9(3)4)14(17)20-10(5)6/h8-11H,7H2,1-6H3
InChIKeyWQJRTXAFGFDDDQ-UHFFFAOYSA-N
XLogP1.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
CID 167651922
CID 172758325
CID 172758325
2-methylpropyl 2-cyanopropanoate
CID 53424522
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
bis(2-methylpropyl) 2-sulfanylbutanedioate
CID 3017591
CID 136863386
CID 136863386
2-methylpropyl acetate;hydrate
CID 86585368
bis[1-(2-methylpropoxy)-1-oxopropan-2-yl] (Z)-but-2-enedioate
CID 5385496
2-methylpropyl 2-bromo-3-methylbutanoate
CID 139689858
propan-2-yl (2S)-2-hydroxy-4-methylpentanoate
CID 87171732
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
propan-2-yl (2S)-2-aminopropanoate
CID 13089460

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl dipropan-2-yl methanetricarboxylate?
The IUPAC name of 2-methylpropyl dipropan-2-yl methanetricarboxylate (CID 14383844) is 2-methylpropyl dipropan-2-yl methanetricarboxylate.
What is the SMILES notation for 2-methylpropyl dipropan-2-yl methanetricarboxylate?
The canonical SMILES for 2-methylpropyl dipropan-2-yl methanetricarboxylate is CC(C)COC(=O)C(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of 2-methylpropyl dipropan-2-yl methanetricarboxylate?
The InChIKey is WQJRTXAFGFDDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-8(2)7-18-12(15)11(13(16)19-9(3)4)14(17)20-10(5)6/h8-11H,7H2,1-6H3.
What are the key properties of 2-methylpropyl dipropan-2-yl methanetricarboxylate?
2-methylpropyl dipropan-2-yl methanetricarboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl dipropan-2-yl methanetricarboxylate is sourced from PubChem (CID 14383844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).