(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol

C48H100O8Si4 — CID 10581630

IUPAC(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H100O8Si4/c1-28-33(2)40(56-60(26,27)46(14,15)16)35(4)37(54-58(22,23)44(8,9)10)31-38(50-19)41-42(49)47(17,18)48(53-41)32-39(55-59(24,25)45(11,12)13)34(3)36(52-48)29-30-51-57(20,21)43(5,6)7/h28,33-42,49H,1,29-32H2,2-27H3/t33-,34-,35+,36+,37+,38+,39-,40-,41-,42+,48-/m1/s1
InChIKeyFAZNRYPJGRVQSC-XHUBZZSBSA-N
MW917.66 g/mol
LogP13.34
Rot. Bonds18

About (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol

(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol (PubChem CID 10581630) has the molecular formula C48H100O8Si4 and a molecular weight of 917.66 g/mol. Its IUPAC name is (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol
PubChem CID10581630
Molecular FormulaC48H100O8Si4
Molecular Weight917.66 g/mol
Exact Mass916.65
IUPAC Name(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H100O8Si4/c1-28-33(2)40(56-60(26,27)46(14,15)16)35(4)37(54-58(22,23)44(8,9)10)31-38(50-19)41-42(49)47(17,18)48(53-41)32-39(55-59(24,25)45(11,12)13)34(3)36(52-48)29-30-51-57(20,21)43(5,6)7/h28,33-42,49H,1,29-32H2,2-27H3/t33-,34-,35+,36+,37+,38+,39-,40-,41-,42+,48-/m1/s1
InChIKeyFAZNRYPJGRVQSC-XHUBZZSBSA-N
XLogP13.34
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.66
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-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

(2R,3R,4R,5S,6R)-2-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enyl]-5-methyl-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
CID 11039463
(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
CID 134839708
(1R,2R,5S,6S,8S,9S,10S,11E,14S,15R)-2-[tert-butyl(dimethyl)silyl]oxy-9,14-bis(methoxymethoxy)-2,6,10,13,13,17,17-heptamethyl-8-triethylsilyloxy-16,18-dioxabicyclo[13.3.0]octadec-11-en-3-yn-5-ol
CID 134839711
(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
CID 134839744
(4R,5S)-4-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-hydroxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-[(2S,3S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-7-methylnona-6,8-dienyl]-1,3-dioxolan-2-one
CID 134942070
(2R,3S,4S,5S,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9,10-trimethyl-3-propan-2-yloxy-7-tri(propan-2-yl)silyloxyundec-10-ene-4,5-diol
CID 134971558
(2R,3S,4R,5R,6R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 135054268
(2S,4S,6S)-2-[(2S)-4-[bis(trimethylsilyl)methyl]-2-triethylsilyloxypent-4-enyl]-6-[(2S)-4-hydroxy-2-tri(propan-2-yl)silyloxybutyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 138968937
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11038280

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol?
The IUPAC name of (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol (CID 10581630) is (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol.
What is the SMILES notation for (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol?
The canonical SMILES for (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol?
The InChIKey is FAZNRYPJGRVQSC-XHUBZZSBSA-N. The full InChI is InChI=1S/C48H100O8Si4/c1-28-33(2)40(56-60(26,27)46(14,15)16)35(4)37(54-58(22,23)44(8,9)10)31-38(50-19)41-42(49)47(17,18)48(53-41)32-39(55-59(24,25)45(11,12)13)34(3)36(52-48)29-30-51-57(20,21)43(5,6)7/h28,33-42,49H,1,29-32H2,2-27H3/t33-,34-,35+,36+,37+,38+,39-,40-,41-,42+,48-/m1/s1.
What are the key properties of (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol?
(2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol has a molecular weight of 917.66 g/mol, XLogP of 13.34, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-ol is sourced from PubChem (CID 10581630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).