(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one

C18H26O6 — CID 10290918

IUPAC(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
SMILESO=C1O[C@@H](C2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H26O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13(21-16)12-11-20-17(22-12)7-3-1-4-8-17/h12-15H,1-11H2/t12?,13-,14-,15-/m0/s1
InChIKeyLSYWGADBJSVSSP-WLUIXCMPSA-N
MW338.40 g/mol
LogP2.43
Rot. Bonds1

About (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one

(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one (PubChem CID 10290918) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
PubChem CID10290918
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
SMILESO=C1O[C@@H](C2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H26O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13(21-16)12-11-20-17(22-12)7-3-1-4-8-17/h12-15H,1-11H2/t12?,13-,14-,15-/m0/s1
InChIKeyLSYWGADBJSVSSP-WLUIXCMPSA-N
XLogP2.43
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?
The IUPAC name of (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one (CID 10290918) is (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one.
What is the SMILES notation for (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?
The canonical SMILES for (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one is O=C1O[C@@H](C2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?
The InChIKey is LSYWGADBJSVSSP-WLUIXCMPSA-N. The full InChI is InChI=1S/C18H26O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13(21-16)12-11-20-17(22-12)7-3-1-4-8-17/h12-15H,1-11H2/t12?,13-,14-,15-/m0/s1.
What are the key properties of (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?
(3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one has a molecular weight of 338.40 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aS)-6-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 10290918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).