(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal

C24H38O9 — CID 11751763

IUPAC(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal
SMILESC=C[C@@H](OCOC)[C@@H](C[C@@H](C[C@@H](OC)[C@H](C=O)OCOC)OCc1ccc(OC)cc1)OC
InChIInChI=1S/C24H38O9/c1-7-21(32-16-26-2)22(29-5)12-20(13-23(30-6)24(14-25)33-17-27-3)31-15-18-8-10-19(28-4)11-9-18/h7-11,14,20-24H,1,12-13,15-17H2,2-6H3/t20-,21+,22+,23+,24-/m0/s1
InChIKeyFHLHKPMMHXCVTE-LSDVVMKASA-N
MW470.56 g/mol
LogP2.75
Rot. Bonds20

About (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal

(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal (PubChem CID 11751763) has the molecular formula C24H38O9 and a molecular weight of 470.56 g/mol. Its IUPAC name is (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal.

Molecular Properties

Compound Name(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal
PubChem CID11751763
Molecular FormulaC24H38O9
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC Name(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal
SMILESC=C[C@@H](OCOC)[C@@H](C[C@@H](C[C@@H](OC)[C@H](C=O)OCOC)OCc1ccc(OC)cc1)OC
InChIInChI=1S/C24H38O9/c1-7-21(32-16-26-2)22(29-5)12-20(13-23(30-6)24(14-25)33-17-27-3)31-15-18-8-10-19(28-4)11-9-18/h7-11,14,20-24H,1,12-13,15-17H2,2-6H3/t20-,21+,22+,23+,24-/m0/s1
InChIKeyFHLHKPMMHXCVTE-LSDVVMKASA-N
XLogP2.75
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 11471994
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CID 11138009
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
[(2S,3R)-2-[(4-methoxyphenyl)methoxy]-1-oxo-5-phenylpentan-3-yl] formate
CID 162398518
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2S,3S,5R)-3,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-8-phenylmethoxyoctanal
CID 53359239
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(2R,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylocta-5,7-dienal
CID 91499523
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal?
The IUPAC name of (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal (CID 11751763) is (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal.
What is the SMILES notation for (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal?
The canonical SMILES for (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal is C=C[C@@H](OCOC)[C@@H](C[C@@H](C[C@@H](OC)[C@H](C=O)OCOC)OCc1ccc(OC)cc1)OC.
What is the InChIKey of (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal?
The InChIKey is FHLHKPMMHXCVTE-LSDVVMKASA-N. The full InChI is InChI=1S/C24H38O9/c1-7-21(32-16-26-2)22(29-5)12-20(13-23(30-6)24(14-25)33-17-27-3)31-15-18-8-10-19(28-4)11-9-18/h7-11,14,20-24H,1,12-13,15-17H2,2-6H3/t20-,21+,22+,23+,24-/m0/s1.
What are the key properties of (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal?
(2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal has a molecular weight of 470.56 g/mol, XLogP of 2.75, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,7R,8R)-3,7-dimethoxy-2,8-bis(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]dec-9-enal is sourced from PubChem (CID 11751763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).