methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate

C16H30O10 — CID 134916368

IUPACmethyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate
SMILESCOCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC(=O)OC)[C@@H]1OCOC
InChIInChI=1S/C16H30O10/c1-18-7-23-13-11(6-12(17)22-5)14(24-8-19-2)16(26-10-21-4)15(13)25-9-20-3/h11,13-16H,6-10H2,1-5H3/t11?,13-,14+,15-,16+
InChIKeyWPGIYCYSUXBSFE-RMYWKNCMSA-N
MW382.41 g/mol
LogP0.14
Rot. Bonds14

About methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate

methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate (PubChem CID 134916368) has the molecular formula C16H30O10 and a molecular weight of 382.41 g/mol. Its IUPAC name is methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate
PubChem CID134916368
Molecular FormulaC16H30O10
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Namemethyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate
SMILESCOCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC(=O)OC)[C@@H]1OCOC
InChIInChI=1S/C16H30O10/c1-18-7-23-13-11(6-12(17)22-5)14(24-8-19-2)16(26-10-21-4)15(13)25-9-20-3/h11,13-16H,6-10H2,1-5H3/t11?,13-,14+,15-,16+
InChIKeyWPGIYCYSUXBSFE-RMYWKNCMSA-N
XLogP0.14
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde
CID 134872904
Cyclopentane, 1-acetyl-2-(methoxycarbonylmethyl)-3,5-bis(2-methoxyethoxymethoxy)-
CID 547953
[(3aR,4S,5S,6S,6aR)-5,6-diacetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl] acetate
CID 10614139
ethyl 2-[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11042480
ethyl 2-[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11107108
(3aR,4R,5R,6aR)-4,5-bis(methoxymethoxy)-5-methyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11391305
Bis(methoxymethyl) 3,4-bis(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 57611451
Bis(ethoxymethyl) 3,4-bis(ethoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 57611454
Bis(2-methoxyethoxymethyl) 3,4-bis(2-methoxyethoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 57611457
ethyl 2-(2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetate
CID 85377714
ethyl 2-[(3aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 134566862
ethyl 2-[(3aS,4R,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 134578809

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate?
The IUPAC name of methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate (CID 134916368) is methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate is COCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC(=O)OC)[C@@H]1OCOC.
What is the InChIKey of methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate?
The InChIKey is WPGIYCYSUXBSFE-RMYWKNCMSA-N. The full InChI is InChI=1S/C16H30O10/c1-18-7-23-13-11(6-12(17)22-5)14(24-8-19-2)16(26-10-21-4)15(13)25-9-20-3/h11,13-16H,6-10H2,1-5H3/t11?,13-,14+,15-,16+.
What are the key properties of methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate?
methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate has a molecular weight of 382.41 g/mol, XLogP of 0.14, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S,4R,5R)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetate is sourced from PubChem (CID 134916368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).