tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane

C27H56O7Si — CID 155935153

IUPACtert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
SMILESC=CC(OCOC)[C@H](CCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C27H56O7Si/c1-11-24(31-20-28-6)26(33-22-30-8)19-17-15-13-12-14-16-18-25(32-21-29-7)23(2)34-35(9,10)27(3,4)5/h11,23-26H,1,12-22H2,2-10H3/t23-,24?,25+,26+/m1/s1
InChIKeyFOAQGFJCGRCBKW-WLXDULSJSA-N
MW520.82 g/mol
LogP6.67
Rot. Bonds23

About tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane (PubChem CID 155935153) has the molecular formula C27H56O7Si and a molecular weight of 520.82 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
PubChem CID155935153
Molecular FormulaC27H56O7Si
Molecular Weight520.82 g/mol
Exact Mass520.38
IUPAC Nametert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
SMILESC=CC(OCOC)[C@H](CCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C27H56O7Si/c1-11-24(31-20-28-6)26(33-22-30-8)19-17-15-13-12-14-16-18-25(32-21-29-7)23(2)34-35(9,10)27(3,4)5/h11,23-26H,1,12-22H2,2-10H3/t23-,24?,25+,26+/m1/s1
InChIKeyFOAQGFJCGRCBKW-WLXDULSJSA-N
XLogP6.67
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.82
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane 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

2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
CID 56838093
(4R,6S,8S)-6-(tert-Butyldimethylsilyloxy)-4,8-di(methoxymethoxy)-1-nonene
CID 56946984
tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
CID 57326345
tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane
CID 135016313
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
tert-butyl-dimethyl-[(2R,3S,12S,13S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
CID 155935158
(3R,4S,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-4,13-bis(methoxymethoxy)pentadec-1-en-3-ol
CID 155935159
tert-butyl-dimethyl-[(2R,3S,12S,13R)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
CID 155935160
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane (CID 155935153) is tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane is C=CC(OCOC)[C@H](CCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane?
The InChIKey is FOAQGFJCGRCBKW-WLXDULSJSA-N. The full InChI is InChI=1S/C27H56O7Si/c1-11-24(31-20-28-6)26(33-22-30-8)19-17-15-13-12-14-16-18-25(32-21-29-7)23(2)34-35(9,10)27(3,4)5/h11,23-26H,1,12-22H2,2-10H3/t23-,24?,25+,26+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane has a molecular weight of 520.82 g/mol, XLogP of 6.67, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane is sourced from PubChem (CID 155935153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).