CID 155601421

C8H8IOSi — CID 155601421

IUPAC—
SMILESOc1cc(I)ccc1CC[Si]
InChIInChI=1S/C8H8IOSi/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,10H,3-4H2
InChIKeySMHWPMLTFXZSMO-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.13
Rot. Bonds2

About CID 155601421

CID 155601421 (PubChem CID 155601421) has the molecular formula C8H8IOSi and a molecular weight of 275.14 g/mol.

Molecular Properties

Compound NameCID 155601421
PubChem CID155601421
Molecular FormulaC8H8IOSi
Molecular Weight275.14 g/mol
Exact Mass274.94
IUPAC Name—
SMILESOc1cc(I)ccc1CC[Si]
InChIInChI=1S/C8H8IOSi/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,10H,3-4H2
InChIKeySMHWPMLTFXZSMO-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 155601347
CID 155601347
CID 155601533
CID 155601533
CID 155601387
CID 155601387
CID 155601608
CID 155601608
actinium;2,5-diiodophenol
CID 59887168
CID 155601283
CID 155601283
CID 155601419
CID 155601419
2-(2-fluoro-4-iodophenyl)ethylsilane
CID 157209977
3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071
4-(2-fluoro-4-iodophenyl)butan-2-amine
CID 130053939
(4-iodo-2-sulfanylphenyl)methanol
CID 68991167
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563

Frequently Asked Questions

What is the IUPAC name of CID 155601421?
The IUPAC name of CID 155601421 (CID 155601421) is not available.
What is the SMILES notation for CID 155601421?
The canonical SMILES for CID 155601421 is Oc1cc(I)ccc1CC[Si].
What is the InChIKey of CID 155601421?
The InChIKey is SMHWPMLTFXZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IOSi/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,10H,3-4H2.
What are the key properties of CID 155601421?
CID 155601421 has a molecular weight of 275.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601421 is sourced from PubChem (CID 155601421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).