2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate

C18H36O2 — CID 174738645

IUPAC2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate
SMILESCCCCC(CC)(C(=O)OC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H36O2/c1-9-13-14-18(12-4,16(5,6)10-2)15(19)20-17(7,8)11-3/h9-14H2,1-8H3
InChIKeyNSCUWVMRCMMPEH-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.74
Rot. Bonds9

About 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate

2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate (PubChem CID 174738645) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate
PubChem CID174738645
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate
SMILESCCCCC(CC)(C(=O)OC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H36O2/c1-9-13-14-18(12-4,16(5,6)10-2)15(19)20-17(7,8)11-3/h9-14H2,1-8H3
InChIKeyNSCUWVMRCMMPEH-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate
CID 139535222
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CID 123226965
3-O-tert-butyl 1-O-ethyl 2-amino-2-butylpropanedioate
CID 141145438
4-methylheptan-4-yl 2-methyl-2-propylhexanoate
CID 170297698
2-methyloctan-2-yl 2,2,2-trifluoroacetate
CID 131843846
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
2-methylhexan-2-yloxy hydrogen carbonate
CID 87195122
bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate
CID 175261720
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
iodomethyl 2-amino-2-methylhexanoate
CID 155453624

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate?
The IUPAC name of 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate (CID 174738645) is 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate.
What is the SMILES notation for 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate?
The canonical SMILES for 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate is CCCCC(CC)(C(=O)OC(C)(C)CC)C(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate?
The InChIKey is NSCUWVMRCMMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-9-13-14-18(12-4,16(5,6)10-2)15(19)20-17(7,8)11-3/h9-14H2,1-8H3.
What are the key properties of 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate?
2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate has a molecular weight of 284.48 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate is sourced from PubChem (CID 174738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).