ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate

C11H20O6 — CID 10658175

IUPACethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CC(OC)(OC)CC1O
InChIInChI=1S/C11H20O6/c1-4-17-9(13)6-10(14)7-11(15-2,16-3)5-8(10)12/h8,12,14H,4-7H2,1-3H3
InChIKeyQBTWGNLRDGWGCL-UHFFFAOYSA-N
MW248.27 g/mol
LogP-0.19
Rot. Bonds5

About ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate

ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate (PubChem CID 10658175) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate
PubChem CID10658175
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Nameethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate
SMILESCCOC(=O)CC1(O)CC(OC)(OC)CC1O
InChIInChI=1S/C11H20O6/c1-4-17-9(13)6-10(14)7-11(15-2,16-3)5-8(10)12/h8,12,14H,4-7H2,1-3H3
InChIKeyQBTWGNLRDGWGCL-UHFFFAOYSA-N
XLogP-0.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
ethyl 2-(1,2,4,5-tetrahydroxycyclononyl)acetate
CID 141218819
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
CID 123166470
ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
CID 118951743
ethyl 2-[(1R,2S,5S)-2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
CID 139266075
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360
ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
CID 57221354
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
CID 106824504
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 1-ethyl-3,3-dimethoxycyclobutane-1-carboxylate
CID 170334363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate?
The IUPAC name of ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate (CID 10658175) is ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate is CCOC(=O)CC1(O)CC(OC)(OC)CC1O.
What is the InChIKey of ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate?
The InChIKey is QBTWGNLRDGWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-4-17-9(13)6-10(14)7-11(15-2,16-3)5-8(10)12/h8,12,14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate?
ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate has a molecular weight of 248.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate is sourced from PubChem (CID 10658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).