(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one

C27H26O5 — CID 153209161

IUPAC(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one
SMILESO=C1OC2(C[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H26O5/c28-26-24(30-18-21-12-6-2-7-13-21)25(31-19-22-14-8-3-9-15-22)27(32-26)16-23(27)29-17-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25+,27?/m1/s1
InChIKeyWLKXCZKOLLRBIB-ZMZXHRNFSA-N
MW430.50 g/mol
LogP4.44
Rot. Bonds9

About (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one

(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one (PubChem CID 153209161) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one
PubChem CID153209161
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one
SMILESO=C1OC2(C[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H26O5/c28-26-24(30-18-21-12-6-2-7-13-21)25(31-19-22-14-8-3-9-15-22)27(32-26)16-23(27)29-17-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25+,27?/m1/s1
InChIKeyWLKXCZKOLLRBIB-ZMZXHRNFSA-N
XLogP4.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118068857
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(3S,4S)-4-(2-phenylethyl)-3-phenylmethoxyoxetan-2-one
CID 15395993
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 59226813
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032

Frequently Asked Questions

What is the IUPAC name of (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one?
The IUPAC name of (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one (CID 153209161) is (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one.
What is the SMILES notation for (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one?
The canonical SMILES for (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one is O=C1OC2(C[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one?
The InChIKey is WLKXCZKOLLRBIB-ZMZXHRNFSA-N. The full InChI is InChI=1S/C27H26O5/c28-26-24(30-18-21-12-6-2-7-13-21)25(31-19-22-14-8-3-9-15-22)27(32-26)16-23(27)29-17-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25+,27?/m1/s1.
What are the key properties of (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one?
(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one has a molecular weight of 430.50 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one is sourced from PubChem (CID 153209161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).