CID 163816630

C13H22I- — CID 163816630

IUPAC—
SMILESCC1CCC2C([I-]1)C1CC2C(C)(C)C1
InChIInChI=1S/C13H22I/c1-8-4-5-10-11-6-9(12(10)14-8)7-13(11,2)3/h8-12H,4-7H2,1-3H3/q-1
InChIKeyZZGZUQRTYOOOBC-UHFFFAOYSA-N
MW305.22 g/mol
LogP0.31
Rot. Bonds

About CID 163816630

CID 163816630 (PubChem CID 163816630) has the molecular formula C13H22I- and a molecular weight of 305.22 g/mol.

Molecular Properties

Compound NameCID 163816630
PubChem CID163816630
Molecular FormulaC13H22I-
Molecular Weight305.22 g/mol
Exact Mass305.08
IUPAC Name—
SMILESCC1CCC2C([I-]1)C1CC2C(C)(C)C1
InChIInChI=1S/C13H22I/c1-8-4-5-10-11-6-9(12(10)14-8)7-13(11,2)3/h8-12H,4-7H2,1-3H3/q-1
InChIKeyZZGZUQRTYOOOBC-UHFFFAOYSA-N
XLogP0.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of CID 163816630?
The IUPAC name of CID 163816630 (CID 163816630) is not available.
What is the SMILES notation for CID 163816630?
The canonical SMILES for CID 163816630 is CC1CCC2C([I-]1)C1CC2C(C)(C)C1.
What is the InChIKey of CID 163816630?
The InChIKey is ZZGZUQRTYOOOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22I/c1-8-4-5-10-11-6-9(12(10)14-8)7-13(11,2)3/h8-12H,4-7H2,1-3H3/q-1.
What are the key properties of CID 163816630?
CID 163816630 has a molecular weight of 305.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163816630 is sourced from PubChem (CID 163816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).