1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane

C33H30Cl2Si — CID 140967319

IUPAC1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
SMILESC=CCCCC(Cl)(Cl)[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H30Cl2Si/c1-3-4-13-22-33(34,35)36(2,31-27-18-9-5-14-23(27)24-15-6-10-19-28(24)31)32-29-20-11-7-16-25(29)26-17-8-12-21-30(26)32/h3,5-12,14-21,31-32H,1,4,13,22H2,2H3
InChIKeyFYAABRMXRHSZEH-UHFFFAOYSA-N
MW525.60 g/mol
LogP9.84
Rot. Bonds7

About 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane

1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane (PubChem CID 140967319) has the molecular formula C33H30Cl2Si and a molecular weight of 525.60 g/mol. Its IUPAC name is 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane.

Molecular Properties

Compound Name1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
PubChem CID140967319
Molecular FormulaC33H30Cl2Si
Molecular Weight525.60 g/mol
Exact Mass524.15
IUPAC Name1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
SMILESC=CCCCC(Cl)(Cl)[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H30Cl2Si/c1-3-4-13-22-33(34,35)36(2,31-27-18-9-5-14-23(27)24-15-6-10-19-28(24)31)32-29-20-11-7-16-25(29)26-17-8-12-21-30(26)32/h3,5-12,14-21,31-32H,1,4,13,22H2,2H3
InChIKeyFYAABRMXRHSZEH-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-5-enyl-[(1R)-3-[hex-5-enyl(dimethyl)silyl]-1H-inden-1-yl]-dimethylsilane
CID 101408626
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
CID 159062487
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
9H-fluoren-9-yl-dimethyl-(1-prop-2-enyl-1H-inden-2-yl)silane
CID 56625000
2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid
CID 123135970
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
CID 118797122
bis(9H-fluoren-9-yl)-methyl-(4-methylpent-3-enyl)silane
CID 159485214
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
CID 22572576
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
1,1-bis(trimethylsilyl)hex-5-enyl-trimethylsilane
CID 71440889

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane?
The IUPAC name of 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane (CID 140967319) is 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane.
What is the SMILES notation for 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane?
The canonical SMILES for 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane is C=CCCCC(Cl)(Cl)[Si](C)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane?
The InChIKey is FYAABRMXRHSZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30Cl2Si/c1-3-4-13-22-33(34,35)36(2,31-27-18-9-5-14-23(27)24-15-6-10-19-28(24)31)32-29-20-11-7-16-25(29)26-17-8-12-21-30(26)32/h3,5-12,14-21,31-32H,1,4,13,22H2,2H3.
What are the key properties of 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane?
1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane has a molecular weight of 525.60 g/mol, XLogP of 9.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane is sourced from PubChem (CID 140967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).