CID 22401799

C7H12Cl2Si — CID 22401799

IUPAC—
SMILESC=CCCCC[Si]C(Cl)Cl
InChIInChI=1S/C7H12Cl2Si/c1-2-3-4-5-6-10-7(8)9/h2,7H,1,3-6H2
InChIKeyXMJYJYPSALDHDY-UHFFFAOYSA-N
MW195.16 g/mol
LogP3.23
Rot. Bonds6

About CID 22401799

CID 22401799 (PubChem CID 22401799) has the molecular formula C7H12Cl2Si and a molecular weight of 195.16 g/mol.

Molecular Properties

Compound NameCID 22401799
PubChem CID22401799
Molecular FormulaC7H12Cl2Si
Molecular Weight195.16 g/mol
Exact Mass194.01
IUPAC Name—
SMILESC=CCCCC[Si]C(Cl)Cl
InChIInChI=1S/C7H12Cl2Si/c1-2-3-4-5-6-10-7(8)9/h2,7H,1,3-6H2
InChIKeyXMJYJYPSALDHDY-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 53.23
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

CID 155629573
CID 155629573
heptacosa-1,26-diene
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heptadeca-1,16-diene
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CID 156681244
CID 156681244
8-bromo-7-chlorooct-1-ene
CID 141314878
dec-9-enyl(dichloromethyl)silane
CID 123376792
11-bromohenicosa-1,20-diene
CID 102253799
CID 168864103
CID 168864103
8-chlorodec-1-ene
CID 64507974
1-chlorohept-6-enylboronic acid
CID 87720455
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912

Frequently Asked Questions

What is the IUPAC name of CID 22401799?
The IUPAC name of CID 22401799 (CID 22401799) is not available.
What is the SMILES notation for CID 22401799?
The canonical SMILES for CID 22401799 is C=CCCCC[Si]C(Cl)Cl.
What is the InChIKey of CID 22401799?
The InChIKey is XMJYJYPSALDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2Si/c1-2-3-4-5-6-10-7(8)9/h2,7H,1,3-6H2.
What are the key properties of CID 22401799?
CID 22401799 has a molecular weight of 195.16 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22401799 is sourced from PubChem (CID 22401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).