(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol

C15H32O4Si — CID 139252209

IUPAC(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyJSFCVBGAXFKKMK-KBPBESRZSA-N
MW304.50 g/mol
LogP3.32
Rot. Bonds10

About (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol

(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol (PubChem CID 139252209) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
PubChem CID139252209
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyJSFCVBGAXFKKMK-KBPBESRZSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-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

(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
CID 11709271
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
(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
tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane
CID 139252210
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273
2-(tert-Butyl-dimethyl-silanyloxy)-dodeca-4,10-dien-6-ol
CID 145927284

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The IUPAC name of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol (CID 139252209) is (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol.
What is the SMILES notation for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The canonical SMILES for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol is C=C[C@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
The InChIKey is JSFCVBGAXFKKMK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-8-13(16)14(18-12-17-5)10-9-11-19-20(6,7)15(2,3)4/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol?
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol has a molecular weight of 304.50 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol is sourced from PubChem (CID 139252209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).