CID 87533744

C6H12ClSi — CID 87533744

IUPAC—
SMILESC/C=C/[Si](Cl)CCC
InChIInChI=1S/C6H12ClSi/c1-3-5-8(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeySBBLOGXXZNJZFS-HWKANZROSA-N
MW147.70 g/mol
LogP2.74
Rot. Bonds3

About CID 87533744

CID 87533744 (PubChem CID 87533744) has the molecular formula C6H12ClSi and a molecular weight of 147.70 g/mol.

Molecular Properties

Compound NameCID 87533744
PubChem CID87533744
Molecular FormulaC6H12ClSi
Molecular Weight147.70 g/mol
Exact Mass147.04
IUPAC Name—
SMILESC/C=C/[Si](Cl)CCC
InChIInChI=1S/C6H12ClSi/c1-3-5-8(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeySBBLOGXXZNJZFS-HWKANZROSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.70
LogP ≤ 52.74
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

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CID 22023835

Frequently Asked Questions

What is the IUPAC name of CID 87533744?
The IUPAC name of CID 87533744 (CID 87533744) is not available.
What is the SMILES notation for CID 87533744?
The canonical SMILES for CID 87533744 is C/C=C/[Si](Cl)CCC.
What is the InChIKey of CID 87533744?
The InChIKey is SBBLOGXXZNJZFS-HWKANZROSA-N. The full InChI is InChI=1S/C6H12ClSi/c1-3-5-8(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of CID 87533744?
CID 87533744 has a molecular weight of 147.70 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87533744 is sourced from PubChem (CID 87533744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).