(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

C12H14O3 — CID 10608343

IUPAC(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESO=C1C=C[C@@H]2[C@H]1[C@H]1CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C12H14O3/c13-9-2-1-7-10(9)8-3-4-12(11(7)8)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11+/m1/s1
InChIKeyPTYVWOZSBUERQQ-HZQMYPQZSA-N
MW206.24 g/mol
LogP1.14
Rot. Bonds

About (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (PubChem CID 10608343) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
PubChem CID10608343
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESO=C1C=C[C@@H]2[C@H]1[C@H]1CCC3(OCCO3)[C@@H]21
InChIInChI=1S/C12H14O3/c13-9-2-1-7-10(9)8-3-4-12(11(7)8)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11+/m1/s1
InChIKeyPTYVWOZSBUERQQ-HZQMYPQZSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The IUPAC name of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (CID 10608343) is (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.
What is the SMILES notation for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The canonical SMILES for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is O=C1C=C[C@@H]2[C@H]1[C@H]1CCC3(OCCO3)[C@@H]21.
What is the InChIKey of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The InChIKey is PTYVWOZSBUERQQ-HZQMYPQZSA-N. The full InChI is InChI=1S/C12H14O3/c13-9-2-1-7-10(9)8-3-4-12(11(7)8)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11+/m1/s1.
What are the key properties of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one has a molecular weight of 206.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is sourced from PubChem (CID 10608343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).