(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

C11H16O4 — CID 88639107

IUPAC(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCO[C@]12CC[C@H]3O[C@H]3[C@H]1CC21OCCO1
InChIInChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKeyPYTPTBDETNAGLY-DOLQZWNJSA-N
MW212.24 g/mol
LogP0.70
Rot. Bonds1

About (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (PubChem CID 88639107) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].

Molecular Properties

Compound Name(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
PubChem CID88639107
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCO[C@]12CC[C@H]3O[C@H]3[C@H]1CC21OCCO1
InChIInChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
InChIKeyPYTPTBDETNAGLY-DOLQZWNJSA-N
XLogP0.70
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] with MolForge

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Related Compounds

9'-Methyl-7'-(2,2,2-trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 88603167
7'-(2,2,2-Trifluoroethoxy)spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 88603209
Zielipdwkorvcg-mbgozmdmsa-
CID 10058512
(1'R,2'R,4'S,7'R,9'R)-9'-methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13958021
(1'R,2'S,4'R,7'R,9'R)-9'-methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13958022
(1'R,2'R,4'S,7'R,9'S)-9'-methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 101661119
(1'R,2'S,4'R,7'R,9'S)-9'-methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 101661120
Spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13714217
(1'S,2'S,4'R,7'S)-spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13714218
(1'S,2'R,4'S,7'S)-spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13714219
9'-Methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 13958020
7'-Methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 14127259

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The IUPAC name of (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (CID 88639107) is (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].
What is the SMILES notation for (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The canonical SMILES for (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is CO[C@]12CC[C@H]3O[C@H]3[C@H]1CC21OCCO1.
What is the InChIKey of (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The InChIKey is PYTPTBDETNAGLY-DOLQZWNJSA-N. The full InChI is InChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
(1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] has a molecular weight of 212.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,4'R,7'R)-7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is sourced from PubChem (CID 88639107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).