[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol

C15H28O6 — CID 148745042

IUPAC[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol
SMILESC[C@]1(OC(O)[C@]2(OCO)CCC[C@@H]2CO)CCC[C@@H]1CO
InChIInChI=1S/C15H28O6/c1-14(6-2-4-11(14)8-16)21-13(19)15(20-10-18)7-3-5-12(15)9-17/h11-13,16-19H,2-10H2,1H3/t11-,12-,13?,14+,15+/m1/s1
InChIKeyODOYCMXBDYMXEQ-XQYPFIQKSA-N
MW304.38 g/mol
LogP0.37
Rot. Bonds7

About [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol

[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol (PubChem CID 148745042) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol.

Molecular Properties

Compound Name[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol
PubChem CID148745042
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol
SMILESC[C@]1(OC(O)[C@]2(OCO)CCC[C@@H]2CO)CCC[C@@H]1CO
InChIInChI=1S/C15H28O6/c1-14(6-2-4-11(14)8-16)21-13(19)15(20-10-18)7-3-5-12(15)9-17/h11-13,16-19H,2-10H2,1H3/t11-,12-,13?,14+,15+/m1/s1
InChIKeyODOYCMXBDYMXEQ-XQYPFIQKSA-N
XLogP0.37
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol?
The IUPAC name of [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol (CID 148745042) is [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol.
What is the SMILES notation for [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol?
The canonical SMILES for [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol is C[C@]1(OC(O)[C@]2(OCO)CCC[C@@H]2CO)CCC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol?
The InChIKey is ODOYCMXBDYMXEQ-XQYPFIQKSA-N. The full InChI is InChI=1S/C15H28O6/c1-14(6-2-4-11(14)8-16)21-13(19)15(20-10-18)7-3-5-12(15)9-17/h11-13,16-19H,2-10H2,1H3/t11-,12-,13?,14+,15+/m1/s1.
What are the key properties of [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol?
[(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol has a molecular weight of 304.38 g/mol, XLogP of 0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(hydroxymethoxy)-2-(hydroxymethyl)cyclopentyl]-[(1S,2R)-2-(hydroxymethyl)-1-methylcyclopentyl]oxymethanol is sourced from PubChem (CID 148745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).