2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate

C16H32O4 — CID 167651922

IUPAC2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)C.CC(C)COC(=O)C(C)C
InChIInChI=1S/2C8H16O2/c1-6(2)5-10-8(9)7(3)4;1-6(2)5-8(9)10-7(3)4/h2*6-7H,5H2,1-4H3
InChIKeyQRWFXMTVVZUVOG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.83
Rot. Bonds6

About 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate

2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate (PubChem CID 167651922) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
PubChem CID167651922
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)C.CC(C)COC(=O)C(C)C
InChIInChI=1S/2C8H16O2/c1-6(2)5-10-8(9)7(3)4;1-6(2)5-8(9)10-7(3)4/h2*6-7H,5H2,1-4H3
InChIKeyQRWFXMTVVZUVOG-UHFFFAOYSA-N
XLogP3.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-but-2-enedioic acid;propan-2-yl 3-methylbutanoate
CID 175001165
2-methylpropyl dipropan-2-yl methanetricarboxylate
CID 14383844
bis(3-methylbutanoyloxy)methyl 3-methylbutanoate
CID 167684168
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
butanoic acid;2-methylpropyl 2-methylpropanoate
CID 174912688
bis(2-methylpropyl) 2-sulfanylbutanedioate
CID 3017591
methyl 3-methylbutanoate;2-methylpropyl (E)-but-2-enoate
CID 118610239
dicyclopropylmethyl 3-methylbutanoate
CID 58845712
propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
CID 89005667
dipropan-2-yl 2-methoxybutanedioate
CID 139989231
1,3-bis(3-oxobutanoyloxy)propan-2-yl 3-methylbutanoate
CID 122551542
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate?
The IUPAC name of 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate (CID 167651922) is 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate.
What is the SMILES notation for 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate?
The canonical SMILES for 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate is CC(C)CC(=O)OC(C)C.CC(C)COC(=O)C(C)C.
What is the InChIKey of 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate?
The InChIKey is QRWFXMTVVZUVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2/c1-6(2)5-10-8(9)7(3)4;1-6(2)5-8(9)10-7(3)4/h2*6-7H,5H2,1-4H3.
What are the key properties of 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate?
2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate has a molecular weight of 288.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate is sourced from PubChem (CID 167651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).