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

C22H45LiSi2 — CID 11303286

IUPAClithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
SMILESCCCCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCCCC.[Li+]
InChIInChI=1S/C22H45Si2.Li/c1-9-11-13-15-17-21(19-23(3,4)5)22(20-24(6,7)8)18-16-14-12-10-2;/h19H,9-18H2,1-8H3;/q-1;+1/b21-19+;
InChIKeyOPAMEFCALWHOCR-UXJRWBAGSA-N
MW372.72 g/mol
LogP5.34
Rot. Bonds13

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

lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (PubChem CID 11303286) has the molecular formula C22H45LiSi2 and a molecular weight of 372.72 g/mol. Its IUPAC name is lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.

Molecular Properties

Compound Namelithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
PubChem CID11303286
Molecular FormulaC22H45LiSi2
Molecular Weight372.72 g/mol
Exact Mass372.32
IUPAC Namelithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
SMILESCCCCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCCCC.[Li+]
InChIInChI=1S/C22H45Si2.Li/c1-9-11-13-15-17-21(19-23(3,4)5)22(20-24(6,7)8)18-16-14-12-10-2;/h19H,9-18H2,1-8H3;/q-1;+1/b21-19+;
InChIKeyOPAMEFCALWHOCR-UXJRWBAGSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.72
LogP ≤ 55.34
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

trimethyl-[(E)-2-methyloct-1-enyl]silane
CID 10035643
[(E)-2-ethyloct-1-enyl]-trimethylsilane
CID 10081920
Trimethyl(3-methylidenenonyl)silane
CID 10584673
Dilithium;[2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 11153168
trimethyl-[(Z)-2-methyloct-1-enyl]silane
CID 12426804
[(Z)-2-ethyloct-1-enyl]-trimethylsilane
CID 12458688
Trimethyl(2-methylidenenonyl)silane
CID 13979642
3,4-Dihexyl-1,1-dimethylsilole
CID 14960758
Bis(trimethylsilylmethylidene)cyclooctane
CID 15244875
Trimethyl(2-methylidenedodecyl)silane
CID 16046669
(1,1-Dimethyl-3,4-dipropylsilol-2-yl)-dimethyl-pent-1-ynylsilane
CID 44156048
2-Cyclododecylideneethenyl(trimethyl)silane
CID 51350028

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The IUPAC name of lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (CID 11303286) is lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.
What is the SMILES notation for lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The canonical SMILES for lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane is CCCCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCCCC.[Li+].
What is the InChIKey of lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The InChIKey is OPAMEFCALWHOCR-UXJRWBAGSA-N. The full InChI is InChI=1S/C22H45Si2.Li/c1-9-11-13-15-17-21(19-23(3,4)5)22(20-24(6,7)8)18-16-14-12-10-2;/h19H,9-18H2,1-8H3;/q-1;+1/b21-19+;.
What are the key properties of lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane has a molecular weight of 372.72 g/mol, XLogP of 5.34, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane is sourced from PubChem (CID 11303286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).