[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol

C10H18O4 — CID 10584257

IUPAC[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
SMILESCOCOCC1[C@@H](CO)C=C[C@H]1CO
InChIInChI=1S/C10H18O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-3,8-12H,4-7H2,1H3/t8-,9+,10?
InChIKeyNPKPDFILSTVCGL-ULKQDVFKSA-N
MW202.25 g/mol
LogP0.01
Rot. Bonds6

About [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol

[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 10584257) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
PubChem CID10584257
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol
SMILESCOCOCC1[C@@H](CO)C=C[C@H]1CO
InChIInChI=1S/C10H18O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-3,8-12H,4-7H2,1H3/t8-,9+,10?
InChIKeyNPKPDFILSTVCGL-ULKQDVFKSA-N
XLogP0.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol (CID 10584257) is [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol is COCOCC1[C@@H](CO)C=C[C@H]1CO.
What is the InChIKey of [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is NPKPDFILSTVCGL-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H18O4/c1-13-7-14-6-10-8(4-11)2-3-9(10)5-12/h2-3,8-12H,4-7H2,1H3/t8-,9+,10?.
What are the key properties of [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol?
[(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(hydroxymethyl)-5-(methoxymethoxymethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 10584257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).