4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol

C29H40O2Si — CID 101058434

IUPAC4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
SMILESC=CCCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)(C=C)C=C
InChIInChI=1S/C29H40O2Si/c1-7-10-18-25(29(30,8-2)9-3)19-17-24-31-32(28(4,5)6,26-20-13-11-14-21-26)27-22-15-12-16-23-27/h7-9,11-16,20-23,25,30H,1-3,10,17-19,24H2,4-6H3
InChIKeyLXFXEXMYWZWYDP-UHFFFAOYSA-N
MW448.72 g/mol
LogP6.03
Rot. Bonds13

About 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol

4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol (PubChem CID 101058434) has the molecular formula C29H40O2Si and a molecular weight of 448.72 g/mol. Its IUPAC name is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol.

Molecular Properties

Compound Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
PubChem CID101058434
Molecular FormulaC29H40O2Si
Molecular Weight448.72 g/mol
Exact Mass448.28
IUPAC Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
SMILESC=CCCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)(C=C)C=C
InChIInChI=1S/C29H40O2Si/c1-7-10-18-25(29(30,8-2)9-3)19-17-24-31-32(28(4,5)6,26-20-13-11-14-21-26)27-22-15-12-16-23-27/h7-9,11-16,20-23,25,30H,1-3,10,17-19,24H2,4-6H3
InChIKeyLXFXEXMYWZWYDP-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 56.03
H-Bond Donors ≤ 51
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 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol with MolForge

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Related Compounds

tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522

Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol?
The IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol (CID 101058434) is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol.
What is the SMILES notation for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol?
The canonical SMILES for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol is C=CCCC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)(C=C)C=C.
What is the InChIKey of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol?
The InChIKey is LXFXEXMYWZWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2Si/c1-7-10-18-25(29(30,8-2)9-3)19-17-24-31-32(28(4,5)6,26-20-13-11-14-21-26)27-22-15-12-16-23-27/h7-9,11-16,20-23,25,30H,1-3,10,17-19,24H2,4-6H3.
What are the key properties of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol?
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol has a molecular weight of 448.72 g/mol, XLogP of 6.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol is sourced from PubChem (CID 101058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).