lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane

C18H37LiSi2 — CID 139249989

IUPAClithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
SMILESCCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC.[Li+]
InChIInChI=1S/C18H37Si2.Li/c1-9-11-13-17(15-19(3,4)5)18(14-12-10-2)16-20(6,7)8;/h15H,9-14H2,1-8H3;/q-1;+1/b17-15+;
InChIKeyBPXMNGNXUBLAFR-INTLEYBYSA-N
MW316.61 g/mol
LogP3.78
Rot. Bonds9

About lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane

lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane (PubChem CID 139249989) has the molecular formula C18H37LiSi2 and a molecular weight of 316.61 g/mol. Its IUPAC name is lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Namelithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
PubChem CID139249989
Molecular FormulaC18H37LiSi2
Molecular Weight316.61 g/mol
Exact Mass316.26
IUPAC Namelithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
SMILESCCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC.[Li+]
InChIInChI=1S/C18H37Si2.Li/c1-9-11-13-17(15-19(3,4)5)18(14-12-10-2)16-20(6,7)8;/h15H,9-14H2,1-8H3;/q-1;+1/b17-15+;
InChIKeyBPXMNGNXUBLAFR-INTLEYBYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The IUPAC name of lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane (CID 139249989) is lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane.
What is the SMILES notation for lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The canonical SMILES for lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane is CCCCC(=[C-]\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CCCC.[Li+].
What is the InChIKey of lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
The InChIKey is BPXMNGNXUBLAFR-INTLEYBYSA-N. The full InChI is InChI=1S/C18H37Si2.Li/c1-9-11-13-17(15-19(3,4)5)18(14-12-10-2)16-20(6,7)8;/h15H,9-14H2,1-8H3;/q-1;+1/b17-15+;.
What are the key properties of lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane?
lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane has a molecular weight of 316.61 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane is sourced from PubChem (CID 139249989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).