(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol

C11H18O4 — CID 155818509

IUPAC(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol
SMILESC=C[C@@H]1[C@@H](CC2OCCO2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C11H18O4/c1-2-7-8(10(13)6-9(7)12)5-11-14-3-4-15-11/h2,7-13H,1,3-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyONWGZPKEECMRIJ-KYXWUPHJSA-N
MW214.26 g/mol
LogP0.29
Rot. Bonds3

About (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol

(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol (PubChem CID 155818509) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol
PubChem CID155818509
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol
SMILESC=C[C@@H]1[C@@H](CC2OCCO2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C11H18O4/c1-2-7-8(10(13)6-9(7)12)5-11-14-3-4-15-11/h2,7-13H,1,3-6H2/t7-,8-,9-,10+/m1/s1
InChIKeyONWGZPKEECMRIJ-KYXWUPHJSA-N
XLogP0.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
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 (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol (CID 155818509) is (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol is C=C[C@@H]1[C@@H](CC2OCCO2)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol?
The InChIKey is ONWGZPKEECMRIJ-KYXWUPHJSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-7-8(10(13)6-9(7)12)5-11-14-3-4-15-11/h2,7-13H,1,3-6H2/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol?
(1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R)-4-(1,3-dioxolan-2-ylmethyl)-5-ethenylcyclopentane-1,3-diol is sourced from PubChem (CID 155818509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).