[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol

C30H42O6 — CID 150771199

IUPAC[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
SMILESC=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](Oc2ccc(OC)cc2)[C@@H]1Oc1ccc(OC)cc1
InChIInChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-22(2)28-30(35-26-19-15-24(33-4)16-20-26)29(27(21-31)36-28)34-25-17-13-23(32-3)14-18-25/h5,13-20,22,27-31H,1,6-12,21H2,2-4H3/t22?,27-,28-,29-,30-/m1/s1
InChIKeyJZXBPKHJNNJYJS-CEZOAOSTSA-N
MW498.66 g/mol
LogP6.21
Rot. Bonds16

About [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol

[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol (PubChem CID 150771199) has the molecular formula C30H42O6 and a molecular weight of 498.66 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
PubChem CID150771199
Molecular FormulaC30H42O6
Molecular Weight498.66 g/mol
Exact Mass498.30
IUPAC Name[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
SMILESC=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](Oc2ccc(OC)cc2)[C@@H]1Oc1ccc(OC)cc1
InChIInChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-22(2)28-30(35-26-19-15-24(33-4)16-20-26)29(27(21-31)36-28)34-25-17-13-23(32-3)14-18-25/h5,13-20,22,27-31H,1,6-12,21H2,2-4H3/t22?,27-,28-,29-,30-/m1/s1
InChIKeyJZXBPKHJNNJYJS-CEZOAOSTSA-N
XLogP6.21
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4R,5S)-3,4-diphenoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687759
[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687752
[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687762
1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol
CID 107008668
2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
CID 158717952
2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
CID 89467401
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
CID 24756271
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]dec-9-en-2-ol
CID 22640829
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol (CID 150771199) is [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol is C=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](Oc2ccc(OC)cc2)[C@@H]1Oc1ccc(OC)cc1.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?
The InChIKey is JZXBPKHJNNJYJS-CEZOAOSTSA-N. The full InChI is InChI=1S/C30H42O6/c1-5-6-7-8-9-10-11-12-22(2)28-30(35-26-19-15-24(33-4)16-20-26)29(27(21-31)36-28)34-25-17-13-23(32-3)14-18-25/h5,13-20,22,27-31H,1,6-12,21H2,2-4H3/t22?,27-,28-,29-,30-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol?
[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol has a molecular weight of 498.66 g/mol, XLogP of 6.21, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol is sourced from PubChem (CID 150771199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).