spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]

C10H14O3 — CID 574323

IUPACspiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]
SMILESC1COC2(CC3CC4OC4C3C2)O1
InChIInChI=1S/C10H14O3/c1-2-12-10(11-1)4-6-3-8-9(13-8)7(6)5-10/h6-9H,1-5H2
InChIKeyXJLFCNVYYFQEGU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.93
Rot. Bonds

About spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]

spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane] (PubChem CID 574323) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]
PubChem CID574323
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namespiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]
SMILESC1COC2(CC3CC4OC4C3C2)O1
InChIInChI=1S/C10H14O3/c1-2-12-10(11-1)4-6-3-8-9(13-8)7(6)5-10/h6-9H,1-5H2
InChIKeyXJLFCNVYYFQEGU-UHFFFAOYSA-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'}

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Related Compounds

(1'S,2'R,4'S,6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.3.0.02,4]nonane]
CID 90682013
(1'R,2'R,4'S,6'R)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581318
(1S,2R)-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1-pentyl-6-oxabicyclo[3.1.0]hexane
CID 135039735
CID 135040833
CID 135040833
CID 12996076
CID 12996076
Spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581317
(1'R,2'S,4'R,6'R)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 12581319
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 14429286
spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 18682719
(6'S)-spiro[1,3-dioxolane-2,7'-3-oxatricyclo[4.2.0.02,4]octane]
CID 53916185
(3'aS,6'aR)-2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 57775765
(3'aR,6'aS)-2'-ethoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 57775772

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]?
The IUPAC name of spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane] (CID 574323) is spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane].
What is the SMILES notation for spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]?
The canonical SMILES for spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane] is C1COC2(CC3CC4OC4C3C2)O1.
What is the InChIKey of spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]?
The InChIKey is XJLFCNVYYFQEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-12-10(11-1)4-6-3-8-9(13-8)7(6)5-10/h6-9H,1-5H2.
What are the key properties of spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane]?
spiro[1,3-dioxolane-2,8'-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 spiro[1,3-dioxolane-2,8'-3-oxatricyclo[4.3.0.02,4]nonane] is sourced from PubChem (CID 574323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).