(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol

C20H32O5 — CID 89257971

IUPAC(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
SMILESC=CCC(C)C(C[C@H](O)CCOCc1ccc(OC)cc1)OCOC
InChIInChI=1S/C20H32O5/c1-5-6-16(2)20(25-15-22-3)13-18(21)11-12-24-14-17-7-9-19(23-4)10-8-17/h5,7-10,16,18,20-21H,1,6,11-15H2,2-4H3/t16?,18-,20?/m1/s1
InChIKeyPYNJOJAWJCODMB-KGXSXCIVSA-N
MW352.47 g/mol
LogP3.55
Rot. Bonds14

About (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol

(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol (PubChem CID 89257971) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol.

Molecular Properties

Compound Name(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
PubChem CID89257971
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
SMILESC=CCC(C)C(C[C@H](O)CCOCc1ccc(OC)cc1)OCOC
InChIInChI=1S/C20H32O5/c1-5-6-16(2)20(25-15-22-3)13-18(21)11-12-24-14-17-7-9-19(23-4)10-8-17/h5,7-10,16,18,20-21H,1,6,11-15H2,2-4H3/t16?,18-,20?/m1/s1
InChIKeyPYNJOJAWJCODMB-KGXSXCIVSA-N
XLogP3.55
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 135011021
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol?
The IUPAC name of (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol (CID 89257971) is (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol.
What is the SMILES notation for (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol?
The canonical SMILES for (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol is C=CCC(C)C(C[C@H](O)CCOCc1ccc(OC)cc1)OCOC.
What is the InChIKey of (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol?
The InChIKey is PYNJOJAWJCODMB-KGXSXCIVSA-N. The full InChI is InChI=1S/C20H32O5/c1-5-6-16(2)20(25-15-22-3)13-18(21)11-12-24-14-17-7-9-19(23-4)10-8-17/h5,7-10,16,18,20-21H,1,6,11-15H2,2-4H3/t16?,18-,20?/m1/s1.
What are the key properties of (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol?
(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol has a molecular weight of 352.47 g/mol, XLogP of 3.55, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol is sourced from PubChem (CID 89257971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).