lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane

C22H44ClLiSi2 — CID 177474800

IUPAClithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
SMILESCCCCCCC(=[C-]\[Si](C)(C)C)/C(CCCCCC)=C(/Cl)[Si](C)(C)C.[Li+]
InChIInChI=1S/C22H44ClSi2.Li/c1-9-11-13-15-17-20(19-24(3,4)5)21(18-16-14-12-10-2)22(23)25(6,7)8;/h9-18H2,1-8H3;/q-1;+1/b22-21-;
InChIKeyUJXTXVDWXWVWHQ-SVXKRPBISA-N
MW407.16 g/mol
LogP5.91
Rot. Bonds13

About lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane

lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (PubChem CID 177474800) has the molecular formula C22H44ClLiSi2 and a molecular weight of 407.16 g/mol. Its IUPAC name is lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.

Molecular Properties

Compound Namelithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
PubChem CID177474800
Molecular FormulaC22H44ClLiSi2
Molecular Weight407.16 g/mol
Exact Mass406.28
IUPAC Namelithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
SMILESCCCCCCC(=[C-]\[Si](C)(C)C)/C(CCCCCC)=C(/Cl)[Si](C)(C)C.[Li+]
InChIInChI=1S/C22H44ClSi2.Li/c1-9-11-13-15-17-20(19-24(3,4)5)21(18-16-14-12-10-2)22(23)25(6,7)8;/h9-18H2,1-8H3;/q-1;+1/b22-21-;
InChIKeyUJXTXVDWXWVWHQ-SVXKRPBISA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.16
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Dilithium;[2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 11153168
Dilithium;[2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 134888331
lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249989
lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 11303286
Dilithium;[2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 15973716
[(Z,3E)-2-butyl-1-chloro-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 102186082
[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
CID 102186083
Dilithium;trimethyl-[2-(1-trimethylsilylhex-1-en-2-yl)oct-1-enyl]silane
CID 177449937
[(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 177474801
CID 177508306
CID 177508306
CID 177622774
CID 177622774

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The IUPAC name of lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (CID 177474800) is lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.
What is the SMILES notation for lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The canonical SMILES for lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane is CCCCCCC(=[C-]\[Si](C)(C)C)/C(CCCCCC)=C(/Cl)[Si](C)(C)C.[Li+].
What is the InChIKey of lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The InChIKey is UJXTXVDWXWVWHQ-SVXKRPBISA-N. The full InChI is InChI=1S/C22H44ClSi2.Li/c1-9-11-13-15-17-20(19-24(3,4)5)21(18-16-14-12-10-2)22(23)25(6,7)8;/h9-18H2,1-8H3;/q-1;+1/b22-21-;.
What are the key properties of lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane has a molecular weight of 407.16 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane is sourced from PubChem (CID 177474800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).