trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol

C11H22O5 — CID 10847292

IUPACtrans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol
SMILESCOC(C)(C)O[C@H]1CC(OC)(OC)C[C@@H]1O
InChIInChI=1S/C11H22O5/c1-10(2,13-3)16-9-7-11(14-4,15-5)6-8(9)12/h8-9,12H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyYYBYOWPCZLBWOV-IUCAKERBSA-N
MW234.29 g/mol
LogP0.90
Rot. Bonds5

About trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol

trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol (PubChem CID 10847292) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol
PubChem CID10847292
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nametrans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol
SMILESCOC(C)(C)O[C@H]1CC(OC)(OC)C[C@@H]1O
InChIInChI=1S/C11H22O5/c1-10(2,13-3)16-9-7-11(14-4,15-5)6-8(9)12/h8-9,12H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyYYBYOWPCZLBWOV-IUCAKERBSA-N
XLogP0.90
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol 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

beta-D-Fructofuranoside, ethyl
CID 11769694
Butyl fructofuranoside
CID 13386213
Ethyl alpha-D-fructofuranoside
CID 133590
(R)-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)((S)-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 10944310
2-Butoxy-2,5-bis(hydroxymethyl)-tetrahydrofurane-3,4-diol
CID 13386212
n-Butyl |A-D-fructofuranoside
CID 13386214
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
CID 102443008
(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
CID 123294240
Ethyl D-fructofuranoside
CID 54008536
[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10868161
GlyTouCan:G50248WD
CID 542476
GlyTouCan:G33786JH
CID 22213418

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol (CID 10847292) is trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol is COC(C)(C)O[C@H]1CC(OC)(OC)C[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol?
The InChIKey is YYBYOWPCZLBWOV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22O5/c1-10(2,13-3)16-9-7-11(14-4,15-5)6-8(9)12/h8-9,12H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol?
trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-4,4-dimethoxy-2-(2-methoxypropan-2-yloxy)cyclopentan-1-ol is sourced from PubChem (CID 10847292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).