lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene

C27H27LiO — CID 88823326

IUPAClithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene
SMILES[H]/[C-]=C\C(C/C=C\CC)OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C27H27O.Li/c1-3-5-9-22-26(4-2)28-27(23-16-10-6-11-17-23,24-18-12-7-13-19-24)25-20-14-8-15-21-25;/h2,4-21,26H,3,22H2,1H3;/q-1;+1/b9-5-;
InChIKeyDMQRFKRJUROAOO-UYTGOYFPSA-N
MW374.45 g/mol
LogP3.71
Rot. Bonds9

About lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene

lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene (PubChem CID 88823326) has the molecular formula C27H27LiO and a molecular weight of 374.45 g/mol. Its IUPAC name is lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene.

Molecular Properties

Compound Namelithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene
PubChem CID88823326
Molecular FormulaC27H27LiO
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Namelithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene
SMILES[H]/[C-]=C\C(C/C=C\CC)OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C27H27O.Li/c1-3-5-9-22-26(4-2)28-27(23-16-10-6-11-17-23,24-18-12-7-13-19-24)25-20-14-8-15-21-25;/h2,4-21,26H,3,22H2,1H3;/q-1;+1/b9-5-;
InChIKeyDMQRFKRJUROAOO-UYTGOYFPSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

lithium 2-trityloxybut-3-enylcycloheptane
CID 163796901
lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene
CID 163551470
lithium 1-trityloxyprop-2-enylcyclooctane
CID 163582226
[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
CID 54442011
lithium [but-3-enoxy(diphenyl)methyl]benzene
CID 172817739
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
[(E)-1-fluorohex-3-enyl]benzene
CID 132568386
(2S)-2-trityloxypropanal
CID 11834057
[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane
CID 175900493
2-trityloxypropane-1,3-diol
CID 174565269
1,2-bis(but-1-enyl)benzene
CID 140975855
1-(2-trityloxybut-3-enyl)adamantane
CID 163614947

Frequently Asked Questions

What is the IUPAC name of lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene?
The IUPAC name of lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene (CID 88823326) is lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene.
What is the SMILES notation for lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene?
The canonical SMILES for lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene is [H]/[C-]=C\C(C/C=C\CC)OC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene?
The InChIKey is DMQRFKRJUROAOO-UYTGOYFPSA-N. The full InChI is InChI=1S/C27H27O.Li/c1-3-5-9-22-26(4-2)28-27(23-16-10-6-11-17-23,24-18-12-7-13-19-24)25-20-14-8-15-21-25;/h2,4-21,26H,3,22H2,1H3;/q-1;+1/b9-5-;.
What are the key properties of lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene?
lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene has a molecular weight of 374.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene is sourced from PubChem (CID 88823326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).