2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate

C16H32O2 — CID 90329075

IUPAC2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OC(C)(C)C(C)C)C(C)C
InChIInChI=1S/C16H32O2/c1-11(2)10-16(9,13(5)6)14(17)18-15(7,8)12(3)4/h11-13H,10H2,1-9H3
InChIKeyZRBVCDINXXCQBT-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.67
Rot. Bonds6

About 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate

2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 90329075) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID90329075
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OC(C)(C)C(C)C)C(C)C
InChIInChI=1S/C16H32O2/c1-11(2)10-16(9,13(5)6)14(17)18-15(7,8)12(3)4/h11-13H,10H2,1-9H3
InChIKeyZRBVCDINXXCQBT-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate with MolForge

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Related Compounds

CID 89383756
CID 89383756
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
(2-hydroxy-4-methylpentyl) 2,4-dimethyl-2-propan-2-ylpentanoate
CID 167328919
2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 134286032
2-dihydroxyphosphanyloxyethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123158747
2,2,3,3,4,4,4-heptafluorobutyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88580459
2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
[6,6,6-trifluoro-5-hydroxy-2-methyl-5-(trifluoromethyl)hexan-3-yl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 129203649
2-(8-methyl-2-tricyclo[4.2.0.01,4]octanyl)propan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123836226
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 90329075) is 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OC(C)(C)C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is ZRBVCDINXXCQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-11(2)10-16(9,13(5)6)14(17)18-15(7,8)12(3)4/h11-13H,10H2,1-9H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 256.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 90329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).