[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate

C15H16O4 — CID 138514651

IUPAC[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate
SMILESO=COC1[C@@H]2OC[C@H](CC13Cc1ccccc1C3)O2
InChIInChI=1S/C15H16O4/c16-9-18-13-14-17-8-12(19-14)7-15(13)5-10-3-1-2-4-11(10)6-15/h1-4,9,12-14H,5-8H2/t12-,13?,14+/m0/s1
InChIKeyAWYXRNFDGUNDES-SMEJFCCLSA-N
MW260.29 g/mol
LogP1.46
Rot. Bonds2

About [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate

[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate (PubChem CID 138514651) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate.

Molecular Properties

Compound Name[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate
PubChem CID138514651
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate
SMILESO=COC1[C@@H]2OC[C@H](CC13Cc1ccccc1C3)O2
InChIInChI=1S/C15H16O4/c16-9-18-13-14-17-8-12(19-14)7-15(13)5-10-3-1-2-4-11(10)6-15/h1-4,9,12-14H,5-8H2/t12-,13?,14+/m0/s1
InChIKeyAWYXRNFDGUNDES-SMEJFCCLSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate?
The IUPAC name of [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate (CID 138514651) is [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate.
What is the SMILES notation for [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate?
The canonical SMILES for [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate is O=COC1[C@@H]2OC[C@H](CC13Cc1ccccc1C3)O2.
What is the InChIKey of [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate?
The InChIKey is AWYXRNFDGUNDES-SMEJFCCLSA-N. The full InChI is InChI=1S/C15H16O4/c16-9-18-13-14-17-8-12(19-14)7-15(13)5-10-3-1-2-4-11(10)6-15/h1-4,9,12-14H,5-8H2/t12-,13?,14+/m0/s1.
What are the key properties of [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate?
[(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate has a molecular weight of 260.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-yl] formate is sourced from PubChem (CID 138514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).