(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol

C27H38O4 — CID 101054913

IUPAC(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](CCCCOCc1ccccc1)OCc1ccc(OC)cc1
InChIInChI=1S/C27H38O4/c1-5-21(2)27(28)22(3)26(31-20-24-14-16-25(29-4)17-15-24)13-9-10-18-30-19-23-11-7-6-8-12-23/h5-8,11-12,14-17,21-22,26-28H,1,9-10,13,18-20H2,2-4H3/t21-,22-,26-,27-/m1/s1
InChIKeyJWOJNPNENRFQTE-IKAXQFJBSA-N
MW426.60 g/mol
LogP5.79
Rot. Bonds15

About (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol

(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol (PubChem CID 101054913) has the molecular formula C27H38O4 and a molecular weight of 426.60 g/mol. Its IUPAC name is (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
PubChem CID101054913
Molecular FormulaC27H38O4
Molecular Weight426.60 g/mol
Exact Mass426.28
IUPAC Name(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](CCCCOCc1ccccc1)OCc1ccc(OC)cc1
InChIInChI=1S/C27H38O4/c1-5-21(2)27(28)22(3)26(31-20-24-14-16-25(29-4)17-15-24)13-9-10-18-30-19-23-11-7-6-8-12-23/h5-8,11-12,14-17,21-22,26-28H,1,9-10,13,18-20H2,2-4H3/t21-,22-,26-,27-/m1/s1
InChIKeyJWOJNPNENRFQTE-IKAXQFJBSA-N
XLogP5.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol with MolForge

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Related Compounds

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CID 101026265
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CID 24864257
(2S,3S,5R)-3,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-8-phenylmethoxyoctanal
CID 53359239
2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
[(3R,4R)-4-[(4-methoxyphenyl)methoxy]hept-6-en-3-yl] (2S)-2,4-bis(phenylmethoxy)butanoate
CID 11478142
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol?
The IUPAC name of (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol (CID 101054913) is (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol.
What is the SMILES notation for (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol?
The canonical SMILES for (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol is C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](CCCCOCc1ccccc1)OCc1ccc(OC)cc1.
What is the InChIKey of (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol?
The InChIKey is JWOJNPNENRFQTE-IKAXQFJBSA-N. The full InChI is InChI=1S/C27H38O4/c1-5-21(2)27(28)22(3)26(31-20-24-14-16-25(29-4)17-15-24)13-9-10-18-30-19-23-11-7-6-8-12-23/h5-8,11-12,14-17,21-22,26-28H,1,9-10,13,18-20H2,2-4H3/t21-,22-,26-,27-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol?
(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol has a molecular weight of 426.60 g/mol, XLogP of 5.79, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol is sourced from PubChem (CID 101054913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).