(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one

C14H20O5 — CID 138756967

IUPAC(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one
SMILESO=C1O[C@@H]2CCCC[C@@H]2[C@H]2CC3(CO[C@H]12)OCCO3
InChIInChI=1S/C14H20O5/c15-13-12-10(9-3-1-2-4-11(9)19-13)7-14(8-16-12)17-5-6-18-14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1
InChIKeyKKCLMSKUASUIBZ-KKOKHZNYSA-N
MW268.31 g/mol
LogP1.25
Rot. Bonds

About (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one

(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one (PubChem CID 138756967) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one.

Molecular Properties

Compound Name(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one
PubChem CID138756967
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one
SMILESO=C1O[C@@H]2CCCC[C@@H]2[C@H]2CC3(CO[C@H]12)OCCO3
InChIInChI=1S/C14H20O5/c15-13-12-10(9-3-1-2-4-11(9)19-13)7-14(8-16-12)17-5-6-18-14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1
InChIKeyKKCLMSKUASUIBZ-KKOKHZNYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one with MolForge

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Related Compounds

(1r,2r)-2-((r)-8-Oxo-1,4,7-trioxaspiro[4.5]decan-9-yl)-cyclohexyl acetate
CID 138757017
spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione
CID 153401874
(4R,4aS,8R,8aS)-4-[(2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-2,2,8-trimethyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 10937193
(4R,4aR,6S,8aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 11161899
(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 101723951

Frequently Asked Questions

What is the IUPAC name of (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one?
The IUPAC name of (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one (CID 138756967) is (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one.
What is the SMILES notation for (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one?
The canonical SMILES for (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one is O=C1O[C@@H]2CCCC[C@@H]2[C@H]2CC3(CO[C@H]12)OCCO3.
What is the InChIKey of (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one?
The InChIKey is KKCLMSKUASUIBZ-KKOKHZNYSA-N. The full InChI is InChI=1S/C14H20O5/c15-13-12-10(9-3-1-2-4-11(9)19-13)7-14(8-16-12)17-5-6-18-14/h9-12H,1-8H2/t9-,10-,11-,12+/m1/s1.
What are the key properties of (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one?
(4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one has a molecular weight of 268.31 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6aR,10aR,10bR)-spiro[1,3,4a,6a,7,8,9,10,10a,10b-decahydropyrano[2,3-c]chromene-2,2'-1,3-dioxolane]-5-one is sourced from PubChem (CID 138756967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).