(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane

C24H30O4 — CID 10317766

IUPAC(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane
SMILESC[C@@H](COc1ccc(C[C@H]2CCCCC23OCCO3)cc1)Oc1ccccc1
InChIInChI=1S/C24H30O4/c1-19(28-23-8-3-2-4-9-23)18-25-22-12-10-20(11-13-22)17-21-7-5-6-14-24(21)26-15-16-27-24/h2-4,8-13,19,21H,5-7,14-18H2,1H3/t19-,21+/m0/s1
InChIKeyJTWGRXSKNZGCOK-PZJWPPBQSA-N
MW382.50 g/mol
LogP5.01
Rot. Bonds7

About (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane

(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 10317766) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID10317766
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane
SMILESC[C@@H](COc1ccc(C[C@H]2CCCCC23OCCO3)cc1)Oc1ccccc1
InChIInChI=1S/C24H30O4/c1-19(28-23-8-3-2-4-9-23)18-25-22-12-10-20(11-13-22)17-21-7-5-6-14-24(21)26-15-16-27-24/h2-4,8-13,19,21H,5-7,14-18H2,1H3/t19-,21+/m0/s1
InChIKeyJTWGRXSKNZGCOK-PZJWPPBQSA-N
XLogP5.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane (CID 10317766) is (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane is C[C@@H](COc1ccc(C[C@H]2CCCCC23OCCO3)cc1)Oc1ccccc1.
What is the InChIKey of (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is JTWGRXSKNZGCOK-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H30O4/c1-19(28-23-8-3-2-4-9-23)18-25-22-12-10-20(11-13-22)17-21-7-5-6-14-24(21)26-15-16-27-24/h2-4,8-13,19,21H,5-7,14-18H2,1H3/t19-,21+/m0/s1.
What are the key properties of (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane?
(6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 382.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[4-[(2S)-2-phenoxypropoxy]phenyl]methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10317766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).