tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane

C41H60O2Si — CID 11050349

IUPACtert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane
SMILESC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@@H]1[C@@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2C[C@H]2O[C@@]12C
InChIInChI=1S/C41H60O2Si/c1-30(24-28-42-44(37(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32)21-22-34-40(8)27-23-33-38(5,6)25-16-26-39(33,7)35(40)29-36-41(34,9)43-36/h10-15,17-20,24,33-36H,16,21-23,25-29H2,1-9H3/b30-24-/t33-,34-,35+,36-,39-,40-,41+/m1/s1
InChIKeyPWBLJCJIMKZTEP-FXIORMIGSA-N
MW613.02 g/mol
LogP9.72
Rot. Bonds8

About tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane

tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane (PubChem CID 11050349) has the molecular formula C41H60O2Si and a molecular weight of 613.02 g/mol. Its IUPAC name is tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane
PubChem CID11050349
Molecular FormulaC41H60O2Si
Molecular Weight613.02 g/mol
Exact Mass612.44
IUPAC Nametert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane
SMILESC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@@H]1[C@@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2C[C@H]2O[C@@]12C
InChIInChI=1S/C41H60O2Si/c1-30(24-28-42-44(37(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32)21-22-34-40(8)27-23-33-38(5,6)25-16-26-39(33,7)35(40)29-36-41(34,9)43-36/h10-15,17-20,24,33-36H,16,21-23,25-29H2,1-9H3/b30-24-/t33-,34-,35+,36-,39-,40-,41+/m1/s1
InChIKeyPWBLJCJIMKZTEP-FXIORMIGSA-N
XLogP9.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.02
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
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2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 10917740
(1S,2S,4aR,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346537
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
(E,3S,4R)-9-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3R)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3-(methoxymethoxy)-3,7-dimethylnon-7-en-4-ol
CID 11342122
(1R,8aS)-2,5,5,8a-tetramethyl-1-[(Z)-3-methylpent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118288330
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
[(2S,3S,4S,4aR,8aS)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl] methanesulfonate
CID 11766960

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane (CID 11050349) is tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane is C/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@@H]1[C@@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2C[C@H]2O[C@@]12C.
What is the InChIKey of tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane?
The InChIKey is PWBLJCJIMKZTEP-FXIORMIGSA-N. The full InChI is InChI=1S/C41H60O2Si/c1-30(24-28-42-44(37(2,3)4,31-17-12-10-13-18-31)32-19-14-11-15-20-32)21-22-34-40(8)27-23-33-38(5,6)25-16-26-39(33,7)35(40)29-36-41(34,9)43-36/h10-15,17-20,24,33-36H,16,21-23,25-29H2,1-9H3/b30-24-/t33-,34-,35+,36-,39-,40-,41+/m1/s1.
What are the key properties of tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane?
tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane has a molecular weight of 613.02 g/mol, XLogP of 9.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane is sourced from PubChem (CID 11050349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).