(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol

C10H14O3 — CID 163479799

IUPAC(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol
SMILESOC1CC2=CC[C@H](C1)C21OCCO1
InChIInChI=1S/C10H14O3/c11-9-5-7-1-2-8(6-9)10(7)12-3-4-13-10/h1,8-9,11H,2-6H2/t8-,9?/m1/s1
InChIKeyCDOJHNPUKQCWFR-VEDVMXKPSA-N
MW182.22 g/mol
LogP0.83
Rot. Bonds

About (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol

(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol (PubChem CID 163479799) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol.

Molecular Properties

Compound Name(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol
PubChem CID163479799
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol
SMILESOC1CC2=CC[C@H](C1)C21OCCO1
InChIInChI=1S/C10H14O3/c11-9-5-7-1-2-8(6-9)10(7)12-3-4-13-10/h1,8-9,11H,2-6H2/t8-,9?/m1/s1
InChIKeyCDOJHNPUKQCWFR-VEDVMXKPSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.83
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 (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol?
The IUPAC name of (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol (CID 163479799) is (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol.
What is the SMILES notation for (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol?
The canonical SMILES for (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol is OC1CC2=CC[C@H](C1)C21OCCO1.
What is the InChIKey of (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol?
The InChIKey is CDOJHNPUKQCWFR-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-5-7-1-2-8(6-9)10(7)12-3-4-13-10/h1,8-9,11H,2-6H2/t8-,9?/m1/s1.
What are the key properties of (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol?
(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol has a molecular weight of 182.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol is sourced from PubChem (CID 163479799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).