tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane

C28H62O2Si3 — CID 135059486

IUPACtert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
SMILESC/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H62O2Si3/c1-17-19-20-21-25(29-32(15,16)28(9,10)11)27(26(18-2)31(12,13)14)30-33(22(3)4,23(5)6)24(7)8/h18,22-25,27H,17,19-21H2,1-16H3/b26-18-/t25-,27-/m0/s1
InChIKeyKMAPPVMCZMDSKD-XGWYUUAQSA-N
MW515.06 g/mol
LogP10.34
Rot. Bonds14

About tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane (PubChem CID 135059486) has the molecular formula C28H62O2Si3 and a molecular weight of 515.06 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
PubChem CID135059486
Molecular FormulaC28H62O2Si3
Molecular Weight515.06 g/mol
Exact Mass514.41
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
SMILESC/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H62O2Si3/c1-17-19-20-21-25(29-32(15,16)28(9,10)11)27(26(18-2)31(12,13)14)30-33(22(3)4,23(5)6)24(7)8/h18,22-25,27H,17,19-21H2,1-16H3/b26-18-/t25-,27-/m0/s1
InChIKeyKMAPPVMCZMDSKD-XGWYUUAQSA-N
XLogP10.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.06
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)heptyloxy-
CID 91720803
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055
Silane, dimethyl(oct-3-en-2-yloxy)decyloxy-
CID 91740946
Silane, dimethyl(dimethyl(undec-2-enyloxy)silyloxy)octadecyloxy-
CID 91744774
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11113802

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane (CID 135059486) is tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane is C/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane?
The InChIKey is KMAPPVMCZMDSKD-XGWYUUAQSA-N. The full InChI is InChI=1S/C28H62O2Si3/c1-17-19-20-21-25(29-32(15,16)28(9,10)11)27(26(18-2)31(12,13)14)30-33(22(3)4,23(5)6)24(7)8/h18,22-25,27H,17,19-21H2,1-16H3/b26-18-/t25-,27-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane has a molecular weight of 515.06 g/mol, XLogP of 10.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane is sourced from PubChem (CID 135059486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).