8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C10H17I — CID 14341787

IUPAC8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESIC12CCCCC1CCCC2
InChIInChI=1S/C10H17I/c11-10-7-3-1-5-9(10)6-2-4-8-10/h9H,1-8H2
InChIKeyUJURKVGXIGIXHF-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.92
Rot. Bonds

About 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 14341787) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID14341787
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESIC12CCCCC1CCCC2
InChIInChI=1S/C10H17I/c11-10-7-3-1-5-9(10)6-2-4-8-10/h9H,1-8H2
InChIKeyUJURKVGXIGIXHF-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.92
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 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 14341787) is 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is IC12CCCCC1CCCC2.
What is the InChIKey of 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is UJURKVGXIGIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c11-10-7-3-1-5-9(10)6-2-4-8-10/h9H,1-8H2.
What are the key properties of 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 264.15 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-iodo-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 14341787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).