3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate

C16H32O2 — CID 88929379

IUPAC3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate
SMILESCC(C)C(C)OC(=O)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-11(2)12(3)18-13(17)15(7,8)16(9,10)14(4,5)6/h11-12H,1-10H3
InChIKeyUINUSNXRMPCFNX-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.67
Rot. Bonds4

About 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate

3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate (PubChem CID 88929379) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate.

Molecular Properties

Compound Name3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate
PubChem CID88929379
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate
SMILESCC(C)C(C)OC(=O)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-11(2)12(3)18-13(17)15(7,8)16(9,10)14(4,5)6/h11-12H,1-10H3
InChIKeyUINUSNXRMPCFNX-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate?
The IUPAC name of 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate (CID 88929379) is 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate.
What is the SMILES notation for 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate?
The canonical SMILES for 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate is CC(C)C(C)OC(=O)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate?
The InChIKey is UINUSNXRMPCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-11(2)12(3)18-13(17)15(7,8)16(9,10)14(4,5)6/h11-12H,1-10H3.
What are the key properties of 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate?
3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate has a molecular weight of 256.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 2,2,3,3,4,4-hexamethylpentanoate is sourced from PubChem (CID 88929379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).