(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

C18H38O4Si — CID 46850136

IUPAC(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCO)OCOC
InChIInChI=1S/C18H38O4Si/c1-9-17(18(11-10-12-19)21-13-20-8)22-23(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1
InChIKeyWPYFQRDQHZBBCQ-ROUUACIJSA-N
MW346.58 g/mol
LogP4.49
Rot. Bonds13

About (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (PubChem CID 46850136) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
PubChem CID46850136
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCO)OCOC
InChIInChI=1S/C18H38O4Si/c1-9-17(18(11-10-12-19)21-13-20-8)22-23(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1
InChIKeyWPYFQRDQHZBBCQ-ROUUACIJSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)dodec-1-en-4-ol
CID 138967169
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209
tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane
CID 139252210
(3S,4S,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-4,13-bis(methoxymethoxy)pentadec-1-en-3-ol
CID 155935157
(3R,4S,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-4,13-bis(methoxymethoxy)pentadec-1-en-3-ol
CID 155935159
(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol
CID 11407516
(4R,5S)-1-{4-[2-(tert-Butyldimethylsilyloxy)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-5-yl}-(S)-prop-2-en-1-ol
CID 12116174
1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
CID 19782545

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The IUPAC name of (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (CID 46850136) is (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.
What is the SMILES notation for (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The canonical SMILES for (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCO)OCOC.
What is the InChIKey of (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The InChIKey is WPYFQRDQHZBBCQ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-9-17(18(11-10-12-19)21-13-20-8)22-23(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol has a molecular weight of 346.58 g/mol, XLogP of 4.49, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is sourced from PubChem (CID 46850136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).