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

C14H14O3 — CID 142549115

IUPAC(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one
SMILESO=C1[C@@H]2OC[C@H](CC13Cc1ccccc1C3)O2
InChIInChI=1S/C14H14O3/c15-12-13-16-8-11(17-13)7-14(12)5-9-3-1-2-4-10(9)6-14/h1-4,11,13H,5-8H2/t11-,13+/m0/s1
InChIKeyYBAVBHXYXVZVRL-WCQYABFASA-N
MW230.26 g/mol
LogP1.49
Rot. Bonds

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

(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one (PubChem CID 142549115) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one.

Molecular Properties

Compound Name(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one
PubChem CID142549115
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one
SMILESO=C1[C@@H]2OC[C@H](CC13Cc1ccccc1C3)O2
InChIInChI=1S/C14H14O3/c15-12-13-16-8-11(17-13)7-14(12)5-9-3-1-2-4-10(9)6-14/h1-4,11,13H,5-8H2/t11-,13+/m0/s1
InChIKeyYBAVBHXYXVZVRL-WCQYABFASA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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'-one?
The IUPAC name of (1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one (CID 142549115) is (1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one.
What is the SMILES notation for (1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one?
The canonical SMILES for (1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one is O=C1[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'-one?
The InChIKey is YBAVBHXYXVZVRL-WCQYABFASA-N. The full InChI is InChI=1S/C14H14O3/c15-12-13-16-8-11(17-13)7-14(12)5-9-3-1-2-4-10(9)6-14/h1-4,11,13H,5-8H2/t11-,13+/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'-one?
(1'S,5'R)-spiro[1,3-dihydroindene-2,3'-6,8-dioxabicyclo[3.2.1]octane]-4'-one has a molecular weight of 230.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 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'-one is sourced from PubChem (CID 142549115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).