CID 54150502

C7H13Si — CID 54150502

IUPAC—
SMILESCC=CC=C[Si](C)C
InChIInChI=1S/C7H13Si/c1-4-5-6-7-8(2)3/h4-7H,1-3H3
InChIKeyUBIANNZZKKSNHC-UHFFFAOYSA-N
MW125.27 g/mol
LogP2.41
Rot. Bonds2

About CID 54150502

CID 54150502 (PubChem CID 54150502) has the molecular formula C7H13Si and a molecular weight of 125.27 g/mol.

Molecular Properties

Compound NameCID 54150502
PubChem CID54150502
Molecular FormulaC7H13Si
Molecular Weight125.27 g/mol
Exact Mass125.08
IUPAC Name—
SMILESCC=CC=C[Si](C)C
InChIInChI=1S/C7H13Si/c1-4-5-6-7-8(2)3/h4-7H,1-3H3
InChIKeyUBIANNZZKKSNHC-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54150502?
The IUPAC name of CID 54150502 (CID 54150502) is not available.
What is the SMILES notation for CID 54150502?
The canonical SMILES for CID 54150502 is CC=CC=C[Si](C)C.
What is the InChIKey of CID 54150502?
The InChIKey is UBIANNZZKKSNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Si/c1-4-5-6-7-8(2)3/h4-7H,1-3H3.
What are the key properties of CID 54150502?
CID 54150502 has a molecular weight of 125.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54150502 is sourced from PubChem (CID 54150502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).