lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene

C27H27LiO — CID 163551470

IUPAClithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene
SMILES[H]/[C-]=C/C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC1.[Li+]
InChIInChI=1S/C27H27O.Li/c1-2-26(22-14-12-13-15-22)28-27(23-16-6-3-7-17-23,24-18-8-4-9-19-24)25-20-10-5-11-21-25;/h1-11,16-22,26H,12-15H2;/q-1;+1
InChIKeyHQIWVMGSIRNOMC-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.55
Rot. Bonds7

About lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene

lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene (PubChem CID 163551470) has the molecular formula C27H27LiO and a molecular weight of 374.45 g/mol. Its IUPAC name is lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Namelithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene
PubChem CID163551470
Molecular FormulaC27H27LiO
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Namelithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene
SMILES[H]/[C-]=C/C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC1.[Li+]
InChIInChI=1S/C27H27O.Li/c1-2-26(22-14-12-13-15-22)28-27(23-16-6-3-7-17-23,24-18-8-4-9-19-24)25-20-10-5-11-21-25;/h1-11,16-22,26H,12-15H2;/q-1;+1
InChIKeyHQIWVMGSIRNOMC-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54248080
[[3-iodo-1-(4-methylcyclohexyl)prop-2-enoxy]-diphenylmethyl]benzene
CID 54522785
lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene
CID 88823326
lithium [but-3-enoxy(diphenyl)methyl]benzene
CID 172817739
(2S)-2-trityloxypropanal
CID 11834057
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
trityl hypobromite
CID 21394946
2-trityloxypropane-1,3-diol
CID 174565269
(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane
CID 158003178

Frequently Asked Questions

What is the IUPAC name of lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene?
The IUPAC name of lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene (CID 163551470) is lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene.
What is the SMILES notation for lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene?
The canonical SMILES for lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene is [H]/[C-]=C/C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC1.[Li+].
What is the InChIKey of lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene?
The InChIKey is HQIWVMGSIRNOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27O.Li/c1-2-26(22-14-12-13-15-22)28-27(23-16-6-3-7-17-23,24-18-8-4-9-19-24)25-20-10-5-11-21-25;/h1-11,16-22,26H,12-15H2;/q-1;+1.
What are the key properties of lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene?
lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene has a molecular weight of 374.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [1-cyclopentylprop-2-enoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 163551470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).