7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

C13H20O3 — CID 88516732

IUPAC7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCC(C)C12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C13H20O3/c1-8(2)12-4-3-10-11(16-10)9(12)7-13(12)14-5-6-15-13/h8-11H,3-7H2,1-2H3
InChIKeySSRZMUFKLHUBRW-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.95
Rot. Bonds1

About 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (PubChem CID 88516732) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].

Molecular Properties

Compound Name7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
PubChem CID88516732
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCC(C)C12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C13H20O3/c1-8(2)12-4-3-10-11(16-10)9(12)7-13(12)14-5-6-15-13/h8-11H,3-7H2,1-2H3
InChIKeySSRZMUFKLHUBRW-UHFFFAOYSA-N
XLogP1.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] with MolForge

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Related Compounds

(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
(1'S,2'R,3'S,6'S)-2'-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octane]-3'-ol
CID 67929726
(1'R,2'S,4'R,7'R)-spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 88603451
(1'R,2'S,3'R,6'S,9'S,13'R,15'S)-6'-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,10'-14-oxatetracyclo[7.6.0.02,6.013,15]pentadecane]-7'-one
CID 10088265
(1'S,2'S,4'R,7'S,9'R)-9'-methylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 10012908
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431
(1'S,2'S,4'R,6'S,8'S,11'S,12'S,16'R)-2',8',16'-trimethylspiro[1,3-dioxolane-2,15'-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecane]
CID 11887768
(2S)-2-[(3aR,4R,6aR)-3a-methyl-1a,2,3,4,5,6,6a,6b-octahydroindeno[4,5-b]oxiren-4-yl]-4-(3,3-dimethyloxiran-2-yl)butan-1-ol
CID 122405987
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 142407594
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
(1S,6S)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 98113382

Frequently Asked Questions

What is the IUPAC name of 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The IUPAC name of 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (CID 88516732) is 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].
What is the SMILES notation for 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The canonical SMILES for 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is CC(C)C12CCC3OC3C1CC21OCCO1.
What is the InChIKey of 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The InChIKey is SSRZMUFKLHUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(2)12-4-3-10-11(16-10)9(12)7-13(12)14-5-6-15-13/h8-11H,3-7H2,1-2H3.
What are the key properties of 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] has a molecular weight of 224.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-propan-2-ylspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is sourced from PubChem (CID 88516732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).