(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one

C13H14O3 — CID 14546289

IUPAC(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one
SMILESC[C@@H]1O[C@@]2(CCCc3ccccc32)OC1=O
InChIInChI=1S/C13H14O3/c1-9-12(14)16-13(15-9)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3/t9-,13-/m0/s1
InChIKeyRICOIZJIFMKMCC-ZANVPECISA-N
MW218.25 g/mol
LogP2.14
Rot. Bonds

About (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one

(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one (PubChem CID 14546289) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one.

Molecular Properties

Compound Name(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one
PubChem CID14546289
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one
SMILESC[C@@H]1O[C@@]2(CCCc3ccccc32)OC1=O
InChIInChI=1S/C13H14O3/c1-9-12(14)16-13(15-9)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3/t9-,13-/m0/s1
InChIKeyRICOIZJIFMKMCC-ZANVPECISA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one?
The IUPAC name of (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one (CID 14546289) is (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one.
What is the SMILES notation for (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one?
The canonical SMILES for (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one is C[C@@H]1O[C@@]2(CCCc3ccccc32)OC1=O.
What is the InChIKey of (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one?
The InChIKey is RICOIZJIFMKMCC-ZANVPECISA-N. The full InChI is InChI=1S/C13H14O3/c1-9-12(14)16-13(15-9)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3/t9-,13-/m0/s1.
What are the key properties of (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one?
(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one has a molecular weight of 218.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 14546289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).