CID 163656362

C11H19I2- — CID 163656362

IUPAC—
SMILESCC1C[C@@H](C)C1C1(C)CC[C@@H](I)[I-]1
InChIInChI=1S/C11H19I2/c1-7-6-8(2)10(7)11(3)5-4-9(12)13-11/h7-10H,4-6H2,1-3H3/q-1/t7-,8?,9+,10?,11?/m1/s1
InChIKeyDTTVDMVIHAWVOT-PCHNWVTGSA-N
MW405.08 g/mol
LogP0.68
Rot. Bonds1

About CID 163656362

CID 163656362 (PubChem CID 163656362) has the molecular formula C11H19I2- and a molecular weight of 405.08 g/mol.

Molecular Properties

Compound NameCID 163656362
PubChem CID163656362
Molecular FormulaC11H19I2-
Molecular Weight405.08 g/mol
Exact Mass404.96
IUPAC Name—
SMILESCC1C[C@@H](C)C1C1(C)CC[C@@H](I)[I-]1
InChIInChI=1S/C11H19I2/c1-7-6-8(2)10(7)11(3)5-4-9(12)13-11/h7-10H,4-6H2,1-3H3/q-1/t7-,8?,9+,10?,11?/m1/s1
InChIKeyDTTVDMVIHAWVOT-PCHNWVTGSA-N
XLogP0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.08
LogP ≤ 50.68
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 163656362?
The IUPAC name of CID 163656362 (CID 163656362) is not available.
What is the SMILES notation for CID 163656362?
The canonical SMILES for CID 163656362 is CC1C[C@@H](C)C1C1(C)CC[C@@H](I)[I-]1.
What is the InChIKey of CID 163656362?
The InChIKey is DTTVDMVIHAWVOT-PCHNWVTGSA-N. The full InChI is InChI=1S/C11H19I2/c1-7-6-8(2)10(7)11(3)5-4-9(12)13-11/h7-10H,4-6H2,1-3H3/q-1/t7-,8?,9+,10?,11?/m1/s1.
What are the key properties of CID 163656362?
CID 163656362 has a molecular weight of 405.08 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163656362 is sourced from PubChem (CID 163656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).