(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole

C14H19ClSi — CID 102283936

IUPAC(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole
SMILESCCCCC1=CCC[Si@@]1(Cl)c1ccccc1
InChIInChI=1S/C14H19ClSi/c1-2-3-8-13-11-7-12-16(13,15)14-9-5-4-6-10-14/h4-6,9-11H,2-3,7-8,12H2,1H3/t16-/m0/s1
InChIKeyIYZFZRQQSQQYAD-INIZCTEOSA-N
MW250.84 g/mol
LogP4.14
Rot. Bonds4

About (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole

(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole (PubChem CID 102283936) has the molecular formula C14H19ClSi and a molecular weight of 250.84 g/mol. Its IUPAC name is (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole.

Molecular Properties

Compound Name(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole
PubChem CID102283936
Molecular FormulaC14H19ClSi
Molecular Weight250.84 g/mol
Exact Mass250.09
IUPAC Name(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole
SMILESCCCCC1=CCC[Si@@]1(Cl)c1ccccc1
InChIInChI=1S/C14H19ClSi/c1-2-3-8-13-11-7-12-16(13,15)14-9-5-4-6-10-14/h4-6,9-11H,2-3,7-8,12H2,1H3/t16-/m0/s1
InChIKeyIYZFZRQQSQQYAD-INIZCTEOSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dibutyl-1-chloro-4-ethyl-1-phenylsilol-3-yl)-diethylborane
CID 102279337
1,2,3,4-tetrabutylpentacene
CID 22061721
butylbenzene;propylbenzene
CID 142022125
(3-butylcyclopent-2-en-1-yl)benzene
CID 13199080
CID 159940559
CID 159940559
methoxymethane;naphthalene;pentane
CID 91431163
butylbenzene;hydroxylamine
CID 175142403
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-butyl-3-methylnaphthalene
CID 173304138
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole?
The IUPAC name of (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole (CID 102283936) is (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole.
What is the SMILES notation for (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole?
The canonical SMILES for (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole is CCCCC1=CCC[Si@@]1(Cl)c1ccccc1.
What is the InChIKey of (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole?
The InChIKey is IYZFZRQQSQQYAD-INIZCTEOSA-N. The full InChI is InChI=1S/C14H19ClSi/c1-2-3-8-13-11-7-12-16(13,15)14-9-5-4-6-10-14/h4-6,9-11H,2-3,7-8,12H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole?
(1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole has a molecular weight of 250.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-butyl-1-chloro-1-phenyl-2,3-dihydrosilole is sourced from PubChem (CID 102283936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).