(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

C11H16O3 — CID 22816314

IUPAC(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESC=C[C@H]1[C@@H]2CC3(OCCO3)[C@@H]2C[C@@H]1O
InChIInChI=1S/C11H16O3/c1-2-7-8-6-11(13-3-4-14-11)9(8)5-10(7)12/h2,7-10,12H,1,3-6H2/t7-,8-,9+,10-/m0/s1
InChIKeyUSXUOIRZWOFTMO-QEYWKRMJSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds1

About (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (PubChem CID 22816314) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.

Molecular Properties

Compound Name(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
PubChem CID22816314
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESC=C[C@H]1[C@@H]2CC3(OCCO3)[C@@H]2C[C@@H]1O
InChIInChI=1S/C11H16O3/c1-2-7-8-6-11(13-3-4-14-11)9(8)5-10(7)12/h2,7-10,12H,1,3-6H2/t7-,8-,9+,10-/m0/s1
InChIKeyUSXUOIRZWOFTMO-QEYWKRMJSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The IUPAC name of (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (CID 22816314) is (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.
What is the SMILES notation for (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The canonical SMILES for (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is C=C[C@H]1[C@@H]2CC3(OCCO3)[C@@H]2C[C@@H]1O.
What is the InChIKey of (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The InChIKey is USXUOIRZWOFTMO-QEYWKRMJSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-7-8-6-11(13-3-4-14-11)9(8)5-10(7)12/h2,7-10,12H,1,3-6H2/t7-,8-,9+,10-/m0/s1.
What are the key properties of (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
(1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol has a molecular weight of 196.25 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'S,3'S,5'R)-2'-ethenylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is sourced from PubChem (CID 22816314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).