methyl 2-ethyl-3,3-dimethylpentanoate

C10H20O2 — CID 13113712

IUPACmethyl 2-ethyl-3,3-dimethylpentanoate
SMILESCCC(C(=O)OC)C(C)(C)CC
InChIInChI=1S/C10H20O2/c1-6-8(9(11)12-5)10(3,4)7-2/h8H,6-7H2,1-5H3
InChIKeyFRQTXBSAJIUYJF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-ethyl-3,3-dimethylpentanoate

methyl 2-ethyl-3,3-dimethylpentanoate (PubChem CID 13113712) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is methyl 2-ethyl-3,3-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3,3-dimethylpentanoate
PubChem CID13113712
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namemethyl 2-ethyl-3,3-dimethylpentanoate
SMILESCCC(C(=O)OC)C(C)(C)CC
InChIInChI=1S/C10H20O2/c1-6-8(9(11)12-5)10(3,4)7-2/h8H,6-7H2,1-5H3
InChIKeyFRQTXBSAJIUYJF-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
CID 142740056
5-methoxycarbonyl-4,4-dimethylheptanoic acid
CID 142079394
methyl 3-cyclopropyl-2-ethyl-3-hydroxybutanoate
CID 62394744
methyl 4,6,6,6-tetrachloro-2-ethyl-3,3-dimethylhexanoate
CID 12810694
methyl 2-ethyl-3-hydroxy-5-methyl-3-(2-methylpropyl)hexanoate
CID 114868675
3-O-[(2-ethyl-3,3-dimethylpentanoyl)oxymethyl] 1-O-(2,2,3,3,3-pentafluoropropyl) propanedioate
CID 89467628
3,4-bis(methoxycarbonyl)hexan-3-ylphosphonic acid
CID 54412153
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 3-(3,5-dihydroxyphenyl)-2-ethyl-3-hydroxybutanoate
CID 107707781
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3,3-dimethylpentanoate?
The IUPAC name of methyl 2-ethyl-3,3-dimethylpentanoate (CID 13113712) is methyl 2-ethyl-3,3-dimethylpentanoate.
What is the SMILES notation for methyl 2-ethyl-3,3-dimethylpentanoate?
The canonical SMILES for methyl 2-ethyl-3,3-dimethylpentanoate is CCC(C(=O)OC)C(C)(C)CC.
What is the InChIKey of methyl 2-ethyl-3,3-dimethylpentanoate?
The InChIKey is FRQTXBSAJIUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(9(11)12-5)10(3,4)7-2/h8H,6-7H2,1-5H3.
What are the key properties of methyl 2-ethyl-3,3-dimethylpentanoate?
methyl 2-ethyl-3,3-dimethylpentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3,3-dimethylpentanoate is sourced from PubChem (CID 13113712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).