2,4-dimethylpentan-2-yl 2-methylpropanoate

C11H22O2 — CID 58385667

IUPAC2,4-dimethylpentan-2-yl 2-methylpropanoate
SMILESCC(C)CC(C)(C)OC(=O)C(C)C
InChIInChI=1S/C11H22O2/c1-8(2)7-11(5,6)13-10(12)9(3)4/h8-9H,7H2,1-6H3
InChIKeyKSEYCSFGPPVUAO-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.01
Rot. Bonds4

About 2,4-dimethylpentan-2-yl 2-methylpropanoate

2,4-dimethylpentan-2-yl 2-methylpropanoate (PubChem CID 58385667) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,4-dimethylpentan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2,4-dimethylpentan-2-yl 2-methylpropanoate
PubChem CID58385667
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,4-dimethylpentan-2-yl 2-methylpropanoate
SMILESCC(C)CC(C)(C)OC(=O)C(C)C
InChIInChI=1S/C11H22O2/c1-8(2)7-11(5,6)13-10(12)9(3)4/h8-9H,7H2,1-6H3
InChIKeyKSEYCSFGPPVUAO-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-2-yl 2-methylpropanoate?
The IUPAC name of 2,4-dimethylpentan-2-yl 2-methylpropanoate (CID 58385667) is 2,4-dimethylpentan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2,4-dimethylpentan-2-yl 2-methylpropanoate?
The canonical SMILES for 2,4-dimethylpentan-2-yl 2-methylpropanoate is CC(C)CC(C)(C)OC(=O)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-2-yl 2-methylpropanoate?
The InChIKey is KSEYCSFGPPVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)7-11(5,6)13-10(12)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 2,4-dimethylpentan-2-yl 2-methylpropanoate?
2,4-dimethylpentan-2-yl 2-methylpropanoate has a molecular weight of 186.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-2-yl 2-methylpropanoate is sourced from PubChem (CID 58385667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).