CID 153363822

C8H15I2- — CID 153363822

IUPAC—
SMILESCC1C[I-]CC(C)C1CI
InChIInChI=1S/C8H15I2/c1-6-4-10-5-7(2)8(6)3-9/h6-8H,3-5H2,1-2H3/q-1
InChIKeyULYZVSFCGMLPEQ-UHFFFAOYSA-N
MW365.02 g/mol
LogP-0.59
Rot. Bonds1

About CID 153363822

CID 153363822 (PubChem CID 153363822) has the molecular formula C8H15I2- and a molecular weight of 365.02 g/mol.

Molecular Properties

Compound NameCID 153363822
PubChem CID153363822
Molecular FormulaC8H15I2-
Molecular Weight365.02 g/mol
Exact Mass364.93
IUPAC Name—
SMILESCC1C[I-]CC(C)C1CI
InChIInChI=1S/C8H15I2/c1-6-4-10-5-7(2)8(6)3-9/h6-8H,3-5H2,1-2H3/q-1
InChIKeyULYZVSFCGMLPEQ-UHFFFAOYSA-N
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
CID 58644913
(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
CID 58246556
6,7-bis(iodomethyl)bicyclo[3.2.1]octane
CID 167069534
1,2-dimethylcyclopropane;propane
CID 143337919
2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
CID 134454213
1-(iodomethyl)-3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 153063031
1-(iodomethyl)-2-methylcyclopentane
CID 13296846
1,2-bis(iodomethyl)cyclopropane
CID 12695325
1-ethyl-3-(iodomethyl)cyclobutane
CID 89033986
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
(2R,4S)-2-(iodomethyl)-4-methyloxolane
CID 125455824

Frequently Asked Questions

What is the IUPAC name of CID 153363822?
The IUPAC name of CID 153363822 (CID 153363822) is not available.
What is the SMILES notation for CID 153363822?
The canonical SMILES for CID 153363822 is CC1C[I-]CC(C)C1CI.
What is the InChIKey of CID 153363822?
The InChIKey is ULYZVSFCGMLPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I2/c1-6-4-10-5-7(2)8(6)3-9/h6-8H,3-5H2,1-2H3/q-1.
What are the key properties of CID 153363822?
CID 153363822 has a molecular weight of 365.02 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153363822 is sourced from PubChem (CID 153363822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).