(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol

C12H20O3 — CID 167554569

IUPAC(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol
SMILESC=C[C@@H]1[C@@H](CC2CCCO2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C12H20O3/c1-2-9-10(12(14)7-11(9)13)6-8-4-3-5-15-8/h2,8-14H,1,3-7H2/t8?,9-,10-,11-,12+/m1/s1
InChIKeyLRVIDSJBWUHPOA-MTAIEDJOSA-N
MW212.29 g/mol
LogP1.10
Rot. Bonds3

About (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol

(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol (PubChem CID 167554569) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol
PubChem CID167554569
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol
SMILESC=C[C@@H]1[C@@H](CC2CCCO2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C12H20O3/c1-2-9-10(12(14)7-11(9)13)6-8-4-3-5-15-8/h2,8-14H,1,3-7H2/t8?,9-,10-,11-,12+/m1/s1
InChIKeyLRVIDSJBWUHPOA-MTAIEDJOSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol?
The IUPAC name of (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol (CID 167554569) is (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol.
What is the SMILES notation for (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol?
The canonical SMILES for (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol is C=C[C@@H]1[C@@H](CC2CCCO2)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol?
The InChIKey is LRVIDSJBWUHPOA-MTAIEDJOSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-9-10(12(14)7-11(9)13)6-8-4-3-5-15-8/h2,8-14H,1,3-7H2/t8?,9-,10-,11-,12+/m1/s1.
What are the key properties of (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol?
(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol has a molecular weight of 212.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol is sourced from PubChem (CID 167554569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).