(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate

C14H28O2 — CID 89326946

IUPAC(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate
SMILESCCCC(C)(CC)CC(C)OC(=O)C(C)C
InChIInChI=1S/C14H28O2/c1-7-9-14(6,8-2)10-12(5)16-13(15)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyWFGXSTBASLXDHA-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.18
Rot. Bonds7

About (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate

(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate (PubChem CID 89326946) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate
PubChem CID89326946
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate
SMILESCCCC(C)(CC)CC(C)OC(=O)C(C)C
InChIInChI=1S/C14H28O2/c1-7-9-14(6,8-2)10-12(5)16-13(15)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyWFGXSTBASLXDHA-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate?
The IUPAC name of (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate (CID 89326946) is (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate.
What is the SMILES notation for (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate?
The canonical SMILES for (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate is CCCC(C)(CC)CC(C)OC(=O)C(C)C.
What is the InChIKey of (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate?
The InChIKey is WFGXSTBASLXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-9-14(6,8-2)10-12(5)16-13(15)11(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate?
(4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate has a molecular weight of 228.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylheptan-2-yl) 2-methylpropanoate is sourced from PubChem (CID 89326946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).