methyl 2-methyl-2-propylpentanoate

C10H20O2 — CID 528155

IUPACmethyl 2-methyl-2-propylpentanoate
SMILESCCCC(C)(CCC)C(=O)OC
InChIInChI=1S/C10H20O2/c1-5-7-10(3,8-6-2)9(11)12-4/h5-8H2,1-4H3
InChIKeyZRKONVBJFAHYEX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.77
Rot. Bonds5

About methyl 2-methyl-2-propylpentanoate

methyl 2-methyl-2-propylpentanoate (PubChem CID 528155) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is methyl 2-methyl-2-propylpentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-propylpentanoate
PubChem CID528155
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namemethyl 2-methyl-2-propylpentanoate
SMILESCCCC(C)(CCC)C(=O)OC
InChIInChI=1S/C10H20O2/c1-5-7-10(3,8-6-2)9(11)12-4/h5-8H2,1-4H3
InChIKeyZRKONVBJFAHYEX-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-propylpentanoate?
The IUPAC name of methyl 2-methyl-2-propylpentanoate (CID 528155) is methyl 2-methyl-2-propylpentanoate.
What is the SMILES notation for methyl 2-methyl-2-propylpentanoate?
The canonical SMILES for methyl 2-methyl-2-propylpentanoate is CCCC(C)(CCC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-propylpentanoate?
The InChIKey is ZRKONVBJFAHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7-10(3,8-6-2)9(11)12-4/h5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-2-propylpentanoate?
methyl 2-methyl-2-propylpentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-propylpentanoate is sourced from PubChem (CID 528155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).