[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate

C24H26O5 — CID 10927331

IUPAC[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@@H](OCc2ccccc2)C2(CC2)[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C24H26O5/c1-18(25)26-17-21-14-22(27-15-19-8-4-2-5-9-19)24(12-13-24)23(29-21)28-16-20-10-6-3-7-11-20/h2-11,14,22-23H,12-13,15-17H2,1H3/t22-,23+/m1/s1
InChIKeyASNLELYKNPQWEP-PKTZIBPZSA-N
MW394.47 g/mol
LogP4.37
Rot. Bonds8

About [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate

[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate (PubChem CID 10927331) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate.

Molecular Properties

Compound Name[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate
PubChem CID10927331
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@@H](OCc2ccccc2)C2(CC2)[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C24H26O5/c1-18(25)26-17-21-14-22(27-15-19-8-4-2-5-9-19)24(12-13-24)23(29-21)28-16-20-10-6-3-7-11-20/h2-11,14,22-23H,12-13,15-17H2,1H3/t22-,23+/m1/s1
InChIKeyASNLELYKNPQWEP-PKTZIBPZSA-N
XLogP4.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl acetate
CID 8785
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
1-[(1S,2R)-1-hydroxy-2-phenylmethoxycyclohex-3-en-1-yl]ethanone
CID 100993270
benzyl acetate;formonitrile
CID 175329925
benzyl acetate;carbon monoxide;chromium
CID 11196913
[(2R,3S,4R)-4-hydroxy-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 67083599
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912

Frequently Asked Questions

What is the IUPAC name of [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate?
The IUPAC name of [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate (CID 10927331) is [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate.
What is the SMILES notation for [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate?
The canonical SMILES for [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate is CC(=O)OCC1=C[C@@H](OCc2ccccc2)C2(CC2)[C@@H](OCc2ccccc2)O1.
What is the InChIKey of [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate?
The InChIKey is ASNLELYKNPQWEP-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H26O5/c1-18(25)26-17-21-14-22(27-15-19-8-4-2-5-9-19)24(12-13-24)23(29-21)28-16-20-10-6-3-7-11-20/h2-11,14,22-23H,12-13,15-17H2,1H3/t22-,23+/m1/s1.
What are the key properties of [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate?
[(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate has a molecular weight of 394.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,8R)-4,8-bis(phenylmethoxy)-5-oxaspiro[2.5]oct-6-en-6-yl]methyl acetate is sourced from PubChem (CID 10927331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).