(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol

C40H56O2Si — CID 19773790

IUPAC(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol
SMILESCCCCCCCCC(O)/C=C/C=C/c1ccccc1CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H56O2Si/c1-5-6-7-8-9-14-28-37(41)29-22-21-27-36-26-20-19-25-35(36)24-13-12-23-34-42-43(40(2,3)4,38-30-15-10-16-31-38)39-32-17-11-18-33-39/h10-11,15-22,25-27,29-33,37,41H,5-9,12-14,23-24,28,34H2,1-4H3/b27-21+,29-22+
InChIKeyNUQGZHDFJRNOBP-CTXMBUNGSA-N
MW596.97 g/mol
LogP9.66
Rot. Bonds19

About (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol

(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol (PubChem CID 19773790) has the molecular formula C40H56O2Si and a molecular weight of 596.97 g/mol. Its IUPAC name is (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol.

Molecular Properties

Compound Name(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol
PubChem CID19773790
Molecular FormulaC40H56O2Si
Molecular Weight596.97 g/mol
Exact Mass596.40
IUPAC Name(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol
SMILESCCCCCCCCC(O)/C=C/C=C/c1ccccc1CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H56O2Si/c1-5-6-7-8-9-14-28-37(41)29-22-21-27-36-26-20-19-25-35(36)24-13-12-23-34-42-43(40(2,3)4,38-30-15-10-16-31-38)39-32-17-11-18-33-39/h10-11,15-22,25-27,29-33,37,41H,5-9,12-14,23-24,28,34H2,1-4H3/b27-21+,29-22+
InChIKeyNUQGZHDFJRNOBP-CTXMBUNGSA-N
XLogP9.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.97
LogP ≤ 59.66
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
CID 15067574
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
CID 15067617
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
2-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenoxy]ethyl acetate
CID 19799760
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(E)-1-[tert-butyl(diphenyl)silyl]oct-1-en-3-ol
CID 101387251
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol?
The IUPAC name of (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol (CID 19773790) is (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol.
What is the SMILES notation for (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol?
The canonical SMILES for (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol is CCCCCCCCC(O)/C=C/C=C/c1ccccc1CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol?
The InChIKey is NUQGZHDFJRNOBP-CTXMBUNGSA-N. The full InChI is InChI=1S/C40H56O2Si/c1-5-6-7-8-9-14-28-37(41)29-22-21-27-36-26-20-19-25-35(36)24-13-12-23-34-42-43(40(2,3)4,38-30-15-10-16-31-38)39-32-17-11-18-33-39/h10-11,15-22,25-27,29-33,37,41H,5-9,12-14,23-24,28,34H2,1-4H3/b27-21+,29-22+.
What are the key properties of (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol?
(1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol has a molecular weight of 596.97 g/mol, XLogP of 9.66, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]trideca-1,3-dien-5-ol is sourced from PubChem (CID 19773790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).