(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane

C18H26Si — CID 174668494

IUPAC(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
SMILESCCCCC1=CC([Si](C)(CC)c2ccccc2)C=C1
InChIInChI=1S/C18H26Si/c1-4-6-10-16-13-14-18(15-16)19(3,5-2)17-11-8-7-9-12-17/h7-9,11-15,18H,4-6,10H2,1-3H3
InChIKeyQJXUSUIEOVRPQV-UHFFFAOYSA-N
MW270.49 g/mol
LogP5.05
Rot. Bonds6

About (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane

(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane (PubChem CID 174668494) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane.

Molecular Properties

Compound Name(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
PubChem CID174668494
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
SMILESCCCCC1=CC([Si](C)(CC)c2ccccc2)C=C1
InChIInChI=1S/C18H26Si/c1-4-6-10-16-13-14-18(15-16)19(3,5-2)17-11-8-7-9-12-17/h7-9,11-15,18H,4-6,10H2,1-3H3
InChIKeyQJXUSUIEOVRPQV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-2,4-dien-1-yl-ethyl-methyl-phenylsilane
CID 174662773
chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
CID 141235544
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
2-butyl-5-methylcyclopenta-1,3-diene;zirconium
CID 174290613
2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
CID 174700660
2-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174487779
butyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 88850734
3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene
CID 145170282
CID 175761117
CID 175761117
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
CID 174773497
dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
CID 101095441

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane (CID 174668494) is (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane.
What is the SMILES notation for (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The canonical SMILES for (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane is CCCCC1=CC([Si](C)(CC)c2ccccc2)C=C1.
What is the InChIKey of (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The InChIKey is QJXUSUIEOVRPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-4-6-10-16-13-14-18(15-16)19(3,5-2)17-11-8-7-9-12-17/h7-9,11-15,18H,4-6,10H2,1-3H3.
What are the key properties of (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane has a molecular weight of 270.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane is sourced from PubChem (CID 174668494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).