CID 177149089

C11H18I- — CID 177149089

IUPAC—
SMILESCC1=C(C)C(C)=C(C(C)C)[I-]C1
InChIInChI=1S/C11H18I/c1-7(2)11-10(5)9(4)8(3)6-12-11/h7H,6H2,1-5H3/q-1
InChIKeyHYQBVPRKESTFFZ-UHFFFAOYSA-N
MW277.17 g/mol
LogP0.36
Rot. Bonds1

About CID 177149089

CID 177149089 (PubChem CID 177149089) has the molecular formula C11H18I- and a molecular weight of 277.17 g/mol.

Molecular Properties

Compound NameCID 177149089
PubChem CID177149089
Molecular FormulaC11H18I-
Molecular Weight277.17 g/mol
Exact Mass277.05
IUPAC Name—
SMILESCC1=C(C)C(C)=C(C(C)C)[I-]C1
InChIInChI=1S/C11H18I/c1-7(2)11-10(5)9(4)8(3)6-12-11/h7H,6H2,1-5H3/q-1
InChIKeyHYQBVPRKESTFFZ-UHFFFAOYSA-N
XLogP0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 50.36
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 177149089?
The IUPAC name of CID 177149089 (CID 177149089) is not available.
What is the SMILES notation for CID 177149089?
The canonical SMILES for CID 177149089 is CC1=C(C)C(C)=C(C(C)C)[I-]C1.
What is the InChIKey of CID 177149089?
The InChIKey is HYQBVPRKESTFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18I/c1-7(2)11-10(5)9(4)8(3)6-12-11/h7H,6H2,1-5H3/q-1.
What are the key properties of CID 177149089?
CID 177149089 has a molecular weight of 277.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177149089 is sourced from PubChem (CID 177149089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).