2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol

C9H16O3 — CID 14466823

IUPAC2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol
SMILESOCCC1=C(CO)C(CO)CC1
InChIInChI=1S/C9H16O3/c10-4-3-7-1-2-8(5-11)9(7)6-12/h8,10-12H,1-6H2
InChIKeySNRXLUZYBRTVHL-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.06
Rot. Bonds4

About 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol

2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol (PubChem CID 14466823) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol.

Molecular Properties

Compound Name2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol
PubChem CID14466823
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol
SMILESOCCC1=C(CO)C(CO)CC1
InChIInChI=1S/C9H16O3/c10-4-3-7-1-2-8(5-11)9(7)6-12/h8,10-12H,1-6H2
InChIKeySNRXLUZYBRTVHL-UHFFFAOYSA-N
XLogP0.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-Deoxyeucommiol
CID 10975947
Eucommiol
CID 154373
2-(2-Hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol
CID 53462571
(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol
CID 10877559
2-(2-Hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-ol
CID 85352809
Cerberidol
CID 91884924
Yzbjqgmpvskeho-wdereuqcsa-
CID 12991687
(2-Propan-2-ylcyclohexen-1-yl)methanol
CID 129756346
[(5R)-5-Isopropyl-2-methyl-1-cyclopenten-1-YL]methanol
CID 12634586
(2,3-Dimethylcyclohexen-1-yl)methanol
CID 13967024
Bicyclo[2.2.1]hept-2-ene-2,3-dimethanol
CID 53673043
1-Cyclopentene-1-methanol, 2-methyl-5-(1-methylethyl)-
CID 564683

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol?
The IUPAC name of 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol (CID 14466823) is 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol.
What is the SMILES notation for 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol?
The canonical SMILES for 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol is OCCC1=C(CO)C(CO)CC1.
What is the InChIKey of 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol?
The InChIKey is SNRXLUZYBRTVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-4-3-7-1-2-8(5-11)9(7)6-12/h8,10-12H,1-6H2.
What are the key properties of 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol?
2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol is sourced from PubChem (CID 14466823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).