methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate

C10H18O4 — CID 146165035

IUPACmethyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
SMILESCCC1CC(CC(=O)OC)C(O)C1O
InChIInChI=1S/C10H18O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h6-7,9-10,12-13H,3-5H2,1-2H3
InChIKeyLIBQYPWOFZXVTC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate

methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate (PubChem CID 146165035) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
PubChem CID146165035
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
SMILESCCC1CC(CC(=O)OC)C(O)C1O
InChIInChI=1S/C10H18O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h6-7,9-10,12-13H,3-5H2,1-2H3
InChIKeyLIBQYPWOFZXVTC-UHFFFAOYSA-N
XLogP0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
CID 71443239
cis-methyl (1R,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746697
trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746696
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-[(3S,4S)-4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 6555935
methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate
CID 118946963
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
methyl 2-[(2R,4S,5R)-5-ethyl-4-iodooxolan-2-yl]acetate
CID 10870235
methyl 2-hydroxy-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 122550677
methyl 2-[(1S,2S,6R)-2-bicyclo[4.1.0]heptanyl]acetate
CID 10986655

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate?
The IUPAC name of methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate (CID 146165035) is methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate.
What is the SMILES notation for methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate?
The canonical SMILES for methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate is CCC1CC(CC(=O)OC)C(O)C1O.
What is the InChIKey of methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate?
The InChIKey is LIBQYPWOFZXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h6-7,9-10,12-13H,3-5H2,1-2H3.
What are the key properties of methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate?
methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate has a molecular weight of 202.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate is sourced from PubChem (CID 146165035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).