ethyl (3R)-3-methylpentanoate

C8H16O2 — CID 7567160

IUPACethyl (3R)-3-methylpentanoate
SMILESCCOC(=O)C[C@H](C)CC
InChIInChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTXAWGHYFBQBVNK-SSDOTTSWSA-N
MW144.21 g/mol
LogP1.99
Rot. Bonds4

About ethyl (3R)-3-methylpentanoate

ethyl (3R)-3-methylpentanoate (PubChem CID 7567160) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is ethyl (3R)-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-methylpentanoate
PubChem CID7567160
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameethyl (3R)-3-methylpentanoate
SMILESCCOC(=O)C[C@H](C)CC
InChIInChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTXAWGHYFBQBVNK-SSDOTTSWSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl propanedioate;3-methylpentane
CID 174912983
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
ethyl (5R)-3-hydroxy-5-methylheptanoate
CID 11679950
ethyl 4-hydrazinyl-3-methylbutanoate
CID 24836086
1-O-ethyl 4-O-(2-methylbutyl) butanedioate
CID 523525
diethyl 3-methylheptanedioate
CID 121008602
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
bis(phosphanyl)methyl 3-methylpentanoate
CID 59064751
ethyl (2S)-2-amino-4-methylhexanoate
CID 86635246
tert-butyl (3R)-3-methylpentanoate
CID 158245009
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
3-methoxypropyl 3-methylpentanoate
CID 87360755

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-methylpentanoate?
The IUPAC name of ethyl (3R)-3-methylpentanoate (CID 7567160) is ethyl (3R)-3-methylpentanoate.
What is the SMILES notation for ethyl (3R)-3-methylpentanoate?
The canonical SMILES for ethyl (3R)-3-methylpentanoate is CCOC(=O)C[C@H](C)CC.
What is the InChIKey of ethyl (3R)-3-methylpentanoate?
The InChIKey is TXAWGHYFBQBVNK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-3-methylpentanoate?
ethyl (3R)-3-methylpentanoate has a molecular weight of 144.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-methylpentanoate is sourced from PubChem (CID 7567160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).