(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol

C10H18O4 — CID 46211183

IUPAC(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
SMILESC=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO
InChIInChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1
InChIKeyZHKYTTFZXBSTEE-KATARQTJSA-N
MW202.25 g/mol
LogP-0.72
Rot. Bonds3

About (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol

(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol (PubChem CID 46211183) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
PubChem CID46211183
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
SMILESC=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO
InChIInChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1
InChIKeyZHKYTTFZXBSTEE-KATARQTJSA-N
XLogP-0.72
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol (CID 46211183) is (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol is C=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO.
What is the InChIKey of (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The InChIKey is ZHKYTTFZXBSTEE-KATARQTJSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1.
What are the key properties of (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
(1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol has a molecular weight of 202.25 g/mol, XLogP of -0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5R)-5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol is sourced from PubChem (CID 46211183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).