methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate

C14H28O2 — CID 88933353

IUPACmethyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(CC)(CC(C)C)C(=O)OC
InChIInChI=1S/C14H28O2/c1-8-13(5,6)14(9-2,10-11(3)4)12(15)16-7/h11H,8-10H2,1-7H3
InChIKeyPLZFFIKZHYQXAD-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.04
Rot. Bonds6

About methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate

methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate (PubChem CID 88933353) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
PubChem CID88933353
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Namemethyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(CC)(CC(C)C)C(=O)OC
InChIInChI=1S/C14H28O2/c1-8-13(5,6)14(9-2,10-11(3)4)12(15)16-7/h11H,8-10H2,1-7H3
InChIKeyPLZFFIKZHYQXAD-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate
CID 121299130
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
2,2-dicyano-3-methoxycarbonyl-5-methyl-3-(2-methylpropyl)hexanoic acid
CID 174653317
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate (CID 88933353) is methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate is CCC(C)(C)C(CC)(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate?
The InChIKey is PLZFFIKZHYQXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-8-13(5,6)14(9-2,10-11(3)4)12(15)16-7/h11H,8-10H2,1-7H3.
What are the key properties of methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate?
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate has a molecular weight of 228.38 g/mol, XLogP of 4.04, 6 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-dimethyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 88933353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).