[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane

C41H65IO2Si2 — CID 58193188

IUPAC[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane
SMILESC/C(=C\I)[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C
InChIInChI=1S/C41H65IO2Si2/c1-28(2)45(29(3)4,30(5)6)44-38-24-23-31(7)40-36(38)25-32(8)39(33(9)26-42)37(40)27-43-46(41(10,11)12,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,26,28-32,36-40H,23-25,27H2,1-12H3/b33-26+/t31-,32-,36-,37+,38-,39-,40+/m0/s1
InChIKeyNYJZGQXVLYEPNM-XPBVVDMYSA-N
MW773.05 g/mol
LogP11.40
Rot. Bonds11

About [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane

[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 58193188) has the molecular formula C41H65IO2Si2 and a molecular weight of 773.05 g/mol. Its IUPAC name is [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID58193188
Molecular FormulaC41H65IO2Si2
Molecular Weight773.05 g/mol
Exact Mass772.36
IUPAC Name[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane
SMILESC/C(=C\I)[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C
InChIInChI=1S/C41H65IO2Si2/c1-28(2)45(29(3)4,30(5)6)44-38-24-23-31(7)40-36(38)25-32(8)39(33(9)26-42)37(40)27-43-46(41(10,11)12,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,26,28-32,36-40H,23-25,27H2,1-12H3/b33-26+/t31-,32-,36-,37+,38-,39-,40+/m0/s1
InChIKeyNYJZGQXVLYEPNM-XPBVVDMYSA-N
XLogP11.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.05
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

[(1S,4S,4aS,5S,7S,8aR)-6-but-2-en-2-yl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane
CID 123548581
(1S,2R,3S,4aR,5S,8S,8aS)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,8-dimethyl-5-tri(propan-2-yl)silyloxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 46198132
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine
CID 175638250
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
[(1S,2S,4aS,5S,8S,8aR)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol
CID 58193090
tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane
CID 52912480
(1S,2S,3R,5S,6R)-3,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-ol
CID 101191463
[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-2-(phenylmethoxymethyl)-5-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 101463190
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane (CID 58193188) is [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane is C/C(=C\I)[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2[C@@H](C[C@@H]1C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C.
What is the InChIKey of [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is NYJZGQXVLYEPNM-XPBVVDMYSA-N. The full InChI is InChI=1S/C41H65IO2Si2/c1-28(2)45(29(3)4,30(5)6)44-38-24-23-31(7)40-36(38)25-32(8)39(33(9)26-42)37(40)27-43-46(41(10,11)12,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,26,28-32,36-40H,23-25,27H2,1-12H3/b33-26+/t31-,32-,36-,37+,38-,39-,40+/m0/s1.
What are the key properties of [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane?
[(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 773.05 g/mol, XLogP of 11.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,4aS,5S,6R,7S,8aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(E)-1-iodoprop-1-en-2-yl]-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58193188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).