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

C22H45ClSi2 — CID 177474801

IUPAC[(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
InChIInChI=1S/C22H45ClSi2/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/h19H,9-18H2,1-8H3/b20-19?,22-21-
InChIKeySVDLKAQNPNQVQU-XADNQMJGSA-N
MW401.23 g/mol
LogP9.10
Rot. Bonds13

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

[(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (PubChem CID 177474801) has the molecular formula C22H45ClSi2 and a molecular weight of 401.23 g/mol. Its IUPAC name is [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
PubChem CID177474801
Molecular FormulaC22H45ClSi2
Molecular Weight401.23 g/mol
Exact Mass400.27
IUPAC Name[(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
InChIInChI=1S/C22H45ClSi2/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/h19H,9-18H2,1-8H3/b20-19?,22-21-
InChIKeySVDLKAQNPNQVQU-XADNQMJGSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.23
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihexyl-1,1-dimethylsilole
CID 14960758
Bis(trimethylsilylmethylidene)cyclooctane
CID 15244875
Trimethyl(2-methylidenedodecyl)silane
CID 16046669
[(E,3E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 101369879
Triethyl(3-methylidenenonyl)silane
CID 101564537
Bis(trimethylsilyldeuteromethylidene)cyclooctane
CID 129815063
1,1-Dimethyl-3,4-dioctylsilole
CID 135062817
[(E,3Z)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249952
lithium [(E)-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249989
[(Z,3Z)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 139252467
trimethyl-[(E)-2-[(E)-2-trimethylsilylethenyl]oct-1-enyl]silane
CID 164676772
trimethyl-[(E)-2-[(Z)-2-trimethylsilylethenyl]oct-1-enyl]silane
CID 164678036

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane (CID 177474801) is [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The canonical SMILES for [(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.
What is the InChIKey of [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
The InChIKey is SVDLKAQNPNQVQU-XADNQMJGSA-N. The full InChI is InChI=1S/C22H45ClSi2/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/h19H,9-18H2,1-8H3/b20-19?,22-21-.
What are the key properties of [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane?
[(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane has a molecular weight of 401.23 g/mol, XLogP of 9.10, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane is sourced from PubChem (CID 177474801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).