CID 172612511

C11H20I- — CID 172612511

IUPAC—
SMILESCC1CCCCC2(CCCC2)[I-]1
InChIInChI=1S/C11H20I/c1-10-6-2-3-7-11(12-10)8-4-5-9-11/h10H,2-9H2,1H3/q-1
InChIKeyXNNMXBKQVUUNJH-UHFFFAOYSA-N
MW279.18 g/mol
LogP0.35
Rot. Bonds

About CID 172612511

CID 172612511 (PubChem CID 172612511) has the molecular formula C11H20I- and a molecular weight of 279.18 g/mol.

Molecular Properties

Compound NameCID 172612511
PubChem CID172612511
Molecular FormulaC11H20I-
Molecular Weight279.18 g/mol
Exact Mass279.06
IUPAC Name—
SMILESCC1CCCCC2(CCCC2)[I-]1
InChIInChI=1S/C11H20I/c1-10-6-2-3-7-11(12-10)8-4-5-9-11/h10H,2-9H2,1H3/q-1
InChIKeyXNNMXBKQVUUNJH-UHFFFAOYSA-N
XLogP0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 50.35
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

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(9R)-9-methylspiro[3.5]nonane
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8-methyl-7-azaspiro[4.5]decane
CID 118001597
1,1,2-trimethylcycloundecane
CID 544748
1,1-difluoro-2-methylcyclohexane
CID 15044189
1,1,5-trimethylcycloundecane
CID 161434950
2-methylpiperidine
CID 7974
(1R)-1-methylbicyclo[4.3.2]undecane
CID 177097651
CID 123161961
CID 123161961
methanol;1,1,2-trimethylcyclohexane
CID 70292509
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1,4-trimethylcyclononane
CID 71397842

Frequently Asked Questions

What is the IUPAC name of CID 172612511?
The IUPAC name of CID 172612511 (CID 172612511) is not available.
What is the SMILES notation for CID 172612511?
The canonical SMILES for CID 172612511 is CC1CCCCC2(CCCC2)[I-]1.
What is the InChIKey of CID 172612511?
The InChIKey is XNNMXBKQVUUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20I/c1-10-6-2-3-7-11(12-10)8-4-5-9-11/h10H,2-9H2,1H3/q-1.
What are the key properties of CID 172612511?
CID 172612511 has a molecular weight of 279.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172612511 is sourced from PubChem (CID 172612511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).