(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]

C10H14O3 — CID 90682013

IUPAC(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]
SMILESC1COC2(CC[C@@H]3[C@H]4O[C@H]4C[C@@H]32)O1
InChIInChI=1S/C10H14O3/c1-2-10(11-3-4-12-10)7-5-8-9(13-8)6(1)7/h6-9H,1-5H2/t6-,7-,8-,9+/m0/s1
InChIKeyLUWWLHOCTRMDGF-XSPKLOCKSA-N
MW182.22 g/mol
LogP0.93
Rot. Bonds

About (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]

(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] (PubChem CID 90682013) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane].

Molecular Properties

Compound Name(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]
PubChem CID90682013
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]
SMILESC1COC2(CC[C@@H]3[C@H]4O[C@H]4C[C@@H]32)O1
InChIInChI=1S/C10H14O3/c1-2-10(11-3-4-12-10)7-5-8-9(13-8)6(1)7/h6-9H,1-5H2/t6-,7-,8-,9+/m0/s1
InChIKeyLUWWLHOCTRMDGF-XSPKLOCKSA-N
XLogP0.93
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]?
The IUPAC name of (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] (CID 90682013) is (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane].
What is the SMILES notation for (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]?
The canonical SMILES for (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] is C1COC2(CC[C@@H]3[C@H]4O[C@H]4C[C@@H]32)O1.
What is the InChIKey of (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]?
The InChIKey is LUWWLHOCTRMDGF-XSPKLOCKSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-10(11-3-4-12-10)7-5-8-9(13-8)6(1)7/h6-9H,1-5H2/t6-,7-,8-,9+/m0/s1.
What are the key properties of (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]?
(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] has a molecular weight of 182.22 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane] is sourced from PubChem (CID 90682013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).