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

C10H18O4 — CID 75149776

IUPAC5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
SMILESC=C(CO)C1CC(O)C(C)(O)C1CO
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
InChIKeyZHKYTTFZXBSTEE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.72
Rot. Bonds3

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

5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol (PubChem CID 75149776) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
PubChem CID75149776
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
SMILESC=C(CO)C1CC(O)C(C)(O)C1CO
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
InChIKeyZHKYTTFZXBSTEE-UHFFFAOYSA-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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Related Compounds

Jatamanin J
CID 46211183
(1S,3S,3aS,5R,8aS)-3-methyl-8-methylidene-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene-1,8a-diol
CID 145977651
Trichocarane D
CID 10778467
Chokol E
CID 180085
Chokol B
CID 181329
CID 14336607
CID 14336607
Trichocarotin H
CID 148214470
(3S)-6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-6-ene-2,3-diol
CID 53242583
11-Cycloneren-3,7,10-triol
CID 139590989
Oxytropiol H
CID 146682414
(1R,2S,3R)-3-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 163006305
Virenscarotin H
CID 170989788

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol (CID 75149776) is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol.
What is the SMILES notation for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The canonical SMILES for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol is C=C(CO)C1CC(O)C(C)(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
The InChIKey is ZHKYTTFZXBSTEE-UHFFFAOYSA-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.
What are the key properties of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol?
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 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol is sourced from PubChem (CID 75149776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).