(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol

C18H28O5 — CID 10426415

IUPAC(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol
SMILESCOCOCOC[C@H](C)/C=C(/C)C[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C18H28O5/c1-14(9-15(2)11-22-13-23-12-20-3)10-18(19)16-5-7-17(21-4)8-6-16/h5-9,15,18-19H,10-13H2,1-4H3/b14-9-/t15-,18+/m1/s1
InChIKeyWWDGBJIBPPECOT-IBEYYURGSA-N
MW324.42 g/mol
LogP3.30
Rot. Bonds11

About (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol

(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol (PubChem CID 10426415) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol
PubChem CID10426415
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol
SMILESCOCOCOC[C@H](C)/C=C(/C)C[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C18H28O5/c1-14(9-15(2)11-22-13-23-12-20-3)10-18(19)16-5-7-17(21-4)8-6-16/h5-9,15,18-19H,10-13H2,1-4H3/b14-9-/t15-,18+/m1/s1
InChIKeyWWDGBJIBPPECOT-IBEYYURGSA-N
XLogP3.30
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.30
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

(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 10358052
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 135011021
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602

Frequently Asked Questions

What is the IUPAC name of (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol?
The IUPAC name of (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol (CID 10426415) is (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol.
What is the SMILES notation for (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol?
The canonical SMILES for (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol is COCOCOC[C@H](C)/C=C(/C)C[C@H](O)c1ccc(OC)cc1.
What is the InChIKey of (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol?
The InChIKey is WWDGBJIBPPECOT-IBEYYURGSA-N. The full InChI is InChI=1S/C18H28O5/c1-14(9-15(2)11-22-13-23-12-20-3)10-18(19)16-5-7-17(21-4)8-6-16/h5-9,15,18-19H,10-13H2,1-4H3/b14-9-/t15-,18+/m1/s1.
What are the key properties of (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol?
(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol has a molecular weight of 324.42 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol is sourced from PubChem (CID 10426415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).