tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane

C29H62O2Si2 — CID 25258171

IUPACtert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC/C=C\C[C@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O2Si2/c1-13-14-15-16-17-18-19-20-21-24-27(31-33(11,12)29(6,7)8)25-22-23-26(2)30-32(9,10)28(3,4)5/h20-21,26-27H,13-19,22-25H2,1-12H3/b21-20-/t26-,27-/m1/s1
InChIKeyDVHYLYYKVKRTCQ-OGDNVMKQSA-N
MW498.99 g/mol
LogP10.65
Rot. Bonds17

About tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane

tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane (PubChem CID 25258171) has the molecular formula C29H62O2Si2 and a molecular weight of 498.99 g/mol. Its IUPAC name is tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
PubChem CID25258171
Molecular FormulaC29H62O2Si2
Molecular Weight498.99 g/mol
Exact Mass498.43
IUPAC Nametert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC/C=C\C[C@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O2Si2/c1-13-14-15-16-17-18-19-20-21-24-27(31-33(11,12)29(6,7)8)25-22-23-26(2)30-32(9,10)28(3,4)5/h20-21,26-27H,13-19,22-25H2,1-12H3/b21-20-/t26-,27-/m1/s1
InChIKeyDVHYLYYKVKRTCQ-OGDNVMKQSA-N
XLogP10.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 510.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane 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

7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
cis-9-octadecenol, tBDMS
CID 6430273
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055
Silane, dimethyl(oct-3-en-2-yloxy)decyloxy-
CID 91740946
13c,16c-docosadienol, tBDMS
CID 6430207
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
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-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane (CID 25258171) is tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane is CCCCCCCC/C=C\C[C@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane?
The InChIKey is DVHYLYYKVKRTCQ-OGDNVMKQSA-N. The full InChI is InChI=1S/C29H62O2Si2/c1-13-14-15-16-17-18-19-20-21-24-27(31-33(11,12)29(6,7)8)25-22-23-26(2)30-32(9,10)28(3,4)5/h20-21,26-27H,13-19,22-25H2,1-12H3/b21-20-/t26-,27-/m1/s1.
What are the key properties of tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane has a molecular weight of 498.99 g/mol, XLogP of 10.65, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 25258171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).