CID 155601438

C9H10ISi — CID 155601438

IUPAC—
SMILESCc1c(I)cccc1CC[Si]
InChIInChI=1S/C9H10ISi/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5-6H2,1H3
InChIKeyASRHVVJQZKPNHH-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.73
Rot. Bonds2

About CID 155601438

CID 155601438 (PubChem CID 155601438) has the molecular formula C9H10ISi and a molecular weight of 273.17 g/mol.

Molecular Properties

Compound NameCID 155601438
PubChem CID155601438
Molecular FormulaC9H10ISi
Molecular Weight273.17 g/mol
Exact Mass272.96
IUPAC Name—
SMILESCc1c(I)cccc1CC[Si]
InChIInChI=1S/C9H10ISi/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5-6H2,1H3
InChIKeyASRHVVJQZKPNHH-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 155601419
CID 155601419
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
1-iodo-2,3-dimethylbenzene;1,2-xylene
CID 175003744
1,3-bis(iodomethyl)-2-methylbenzene
CID 67628819
1,2,3-triiodobenzene
CID 139071365
N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
CID 114256925
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 163209653
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
3-iodo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281882
3-[2-(difluoromethyl)-3-iodophenyl]propanal
CID 134621173
(3-iodo-2-methylphenyl)hydrazine
CID 130164632

Frequently Asked Questions

What is the IUPAC name of CID 155601438?
The IUPAC name of CID 155601438 (CID 155601438) is not available.
What is the SMILES notation for CID 155601438?
The canonical SMILES for CID 155601438 is Cc1c(I)cccc1CC[Si].
What is the InChIKey of CID 155601438?
The InChIKey is ASRHVVJQZKPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ISi/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5-6H2,1H3.
What are the key properties of CID 155601438?
CID 155601438 has a molecular weight of 273.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601438 is sourced from PubChem (CID 155601438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).