1-chloro-2,5-dimethyl-1-phenylsilolane

C12H17ClSi — CID 15205261

IUPAC1-chloro-2,5-dimethyl-1-phenylsilolane
SMILESCC1CCC(C)[Si]1(Cl)c1ccccc1
InChIInChI=1S/C12H17ClSi/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyMFFLRVDCKOJGEQ-UHFFFAOYSA-N
MW224.81 g/mol
LogP3.65
Rot. Bonds1

About 1-chloro-2,5-dimethyl-1-phenylsilolane

1-chloro-2,5-dimethyl-1-phenylsilolane (PubChem CID 15205261) has the molecular formula C12H17ClSi and a molecular weight of 224.81 g/mol. Its IUPAC name is 1-chloro-2,5-dimethyl-1-phenylsilolane.

Molecular Properties

Compound Name1-chloro-2,5-dimethyl-1-phenylsilolane
PubChem CID15205261
Molecular FormulaC12H17ClSi
Molecular Weight224.81 g/mol
Exact Mass224.08
IUPAC Name1-chloro-2,5-dimethyl-1-phenylsilolane
SMILESCC1CCC(C)[Si]1(Cl)c1ccccc1
InChIInChI=1S/C12H17ClSi/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyMFFLRVDCKOJGEQ-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.81
LogP ≤ 53.65
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-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane
CID 15526603
2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane
CID 15526604
2,4,6-trimethyl-2-phenyl-1,3,2-dioxasilinane
CID 14148970
(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane
CID 101044385
1-chloro-4-(4,4-difluorocyclohexyl)-1-phenylsilinane
CID 139792190
1,3-dimethyl-1-phenylphospholan-1-ium
CID 4220919
(1,2-dimethylcyclopentyl)-phenylphosphane
CID 175406940
(4R,6S)-4,6-dimethyl-2,2-diphenyloxasilinane
CID 10540894
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
(3R,5S)-5-(3-chlorophenyl)-3-methyl-2,2-diphenyloxasilolane
CID 122390730
diphenylmethylbenzene fluoride
CID 87590605
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5-dimethyl-1-phenylsilolane?
The IUPAC name of 1-chloro-2,5-dimethyl-1-phenylsilolane (CID 15205261) is 1-chloro-2,5-dimethyl-1-phenylsilolane.
What is the SMILES notation for 1-chloro-2,5-dimethyl-1-phenylsilolane?
The canonical SMILES for 1-chloro-2,5-dimethyl-1-phenylsilolane is CC1CCC(C)[Si]1(Cl)c1ccccc1.
What is the InChIKey of 1-chloro-2,5-dimethyl-1-phenylsilolane?
The InChIKey is MFFLRVDCKOJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClSi/c1-10-8-9-11(2)14(10,13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-chloro-2,5-dimethyl-1-phenylsilolane?
1-chloro-2,5-dimethyl-1-phenylsilolane has a molecular weight of 224.81 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dimethyl-1-phenylsilolane is sourced from PubChem (CID 15205261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).