(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione

C14H20O6 — CID 164889051

IUPAC(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione
SMILESO=C1CCCCC(=O)[C@H]2CC3(CO[C@@H]2CO1)OCCO3
InChIInChI=1S/C14H20O6/c15-11-3-1-2-4-13(16)17-8-12-10(11)7-14(9-18-12)19-5-6-20-14/h10,12H,1-9H2/t10-,12-/m1/s1
InChIKeySAWVRKWRKFYQBF-ZYHUDNBSSA-N
MW284.31 g/mol
LogP0.82
Rot. Bonds

About (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione

(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione (PubChem CID 164889051) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione.

Molecular Properties

Compound Name(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione
PubChem CID164889051
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione
SMILESO=C1CCCCC(=O)[C@H]2CC3(CO[C@@H]2CO1)OCCO3
InChIInChI=1S/C14H20O6/c15-11-3-1-2-4-13(16)17-8-12-10(11)7-14(9-18-12)19-5-6-20-14/h10,12H,1-9H2/t10-,12-/m1/s1
InChIKeySAWVRKWRKFYQBF-ZYHUDNBSSA-N
XLogP0.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione?
The IUPAC name of (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione (CID 164889051) is (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione.
What is the SMILES notation for (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione?
The canonical SMILES for (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione is O=C1CCCCC(=O)[C@H]2CC3(CO[C@@H]2CO1)OCCO3.
What is the InChIKey of (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione?
The InChIKey is SAWVRKWRKFYQBF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20O6/c15-11-3-1-2-4-13(16)17-8-12-10(11)7-14(9-18-12)19-5-6-20-14/h10,12H,1-9H2/t10-,12-/m1/s1.
What are the key properties of (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione?
(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione has a molecular weight of 284.31 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydro-2H-pyrano[2,3-c]oxecine]-5',10'-dione is sourced from PubChem (CID 164889051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).