(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol

C19H40O4Si — CID 10642289

IUPAC(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol
SMILESC=C[C@@H](O)CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-10-17(20)12-11-15(2)18(22-14-21-7)16(3)13-23-24(8,9)19(4,5)6/h10,15-18,20H,1,11-14H2,2-9H3/t15-,16-,17-,18-/m1/s1
InChIKeySRHJWTSMFUCZEC-BRSBDYLESA-N
MW360.61 g/mol
LogP4.60
Rot. Bonds12

About (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol

(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol (PubChem CID 10642289) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol.

Molecular Properties

Compound Name(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol
PubChem CID10642289
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol
SMILESC=C[C@@H](O)CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-10-17(20)12-11-15(2)18(22-14-21-7)16(3)13-23-24(8,9)19(4,5)6/h10,15-18,20H,1,11-14H2,2-9H3/t15-,16-,17-,18-/m1/s1
InChIKeySRHJWTSMFUCZEC-BRSBDYLESA-N
XLogP4.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.60
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 (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-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

(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
CID 23249217
(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
CID 24884890
(4S,5S,6R,8R)-5-(methoxymethoxy)-6-[2-(methoxymethoxy)ethyl]-4,8-dimethylundeca-1,10-diene-3,9-diol
CID 134878462
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
(4R,6S,7S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7,9-dimethyl-2-(trimethylsilylmethyl)dec-1-en-4-ol
CID 162404500
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-prop-2-enyloct-7-yn-1-ol
CID 11222031
7-(2-Hydroxypropan-2-yloxy)-12,14-dimethylhexadec-1-ene-3,5-diol
CID 144843588
(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol
CID 10359315
(3R,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-4-triethylsilyloxyoctan-2-ol
CID 10482385
(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-iodopent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 10531778
(3R,4R,5R,6R,9S)-9-methoxy-5-(methoxymethoxy)-4,6-dimethylundec-10-ene-1,3-diol
CID 10614480
tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
CID 10623941

Frequently Asked Questions

What is the IUPAC name of (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol?
The IUPAC name of (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol (CID 10642289) is (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol.
What is the SMILES notation for (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol?
The canonical SMILES for (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol is C=C[C@@H](O)CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol?
The InChIKey is SRHJWTSMFUCZEC-BRSBDYLESA-N. The full InChI is InChI=1S/C19H40O4Si/c1-10-17(20)12-11-15(2)18(22-14-21-7)16(3)13-23-24(8,9)19(4,5)6/h10,15-18,20H,1,11-14H2,2-9H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol?
(3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol has a molecular weight of 360.61 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,7R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethylnon-1-en-3-ol is sourced from PubChem (CID 10642289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).