2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate

C16H32O2 — CID 153493812

IUPAC2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
SMILESCC(C)(C)COC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-13(2,3)11-18-12(17)16(10,14(4,5)6)15(7,8)9/h11H2,1-10H3
InChIKeyRRFUAFUXZUQHSU-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.67
Rot. Bonds2

About 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate

2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate (PubChem CID 153493812) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
PubChem CID153493812
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
SMILESCC(C)(C)COC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-13(2,3)11-18-12(17)16(10,14(4,5)6)15(7,8)9/h11H2,1-10H3
InChIKeyRRFUAFUXZUQHSU-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl carboniodidate
CID 71320370
2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89069139
bis(2,2-dimethylpropyl) 2-bromo-2-propan-2-ylpropanedioate
CID 23073657
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
2,2-dimethylpropyl butanoate;yttrium
CID 58176061
2,2-dimethylpropyl 2,2-dichloroacetate
CID 545775
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The IUPAC name of 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate (CID 153493812) is 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate.
What is the SMILES notation for 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The canonical SMILES for 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate is CC(C)(C)COC(=O)C(C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The InChIKey is RRFUAFUXZUQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-13(2,3)11-18-12(17)16(10,14(4,5)6)15(7,8)9/h11H2,1-10H3.
What are the key properties of 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate?
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate has a molecular weight of 256.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate is sourced from PubChem (CID 153493812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).