2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C10H17I — CID 14026385

IUPAC2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESIC1CCC2CCCCC2C1
InChIInChI=1S/C10H17I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2
InChIKeyJJBLDLILXPWRHF-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.78
Rot. Bonds

About 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 14026385) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID14026385
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESIC1CCC2CCCCC2C1
InChIInChI=1S/C10H17I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2
InChIKeyJJBLDLILXPWRHF-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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

Decalin
CID 7044
cis-Decahydronaphthalene-d18
CID 2724146
4a-Iododecahydronaphthalene
CID 14341787
1-Fluoro-4-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 122679458
(4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14341784
9-Deutero-decalin
CID 129628987
Cyclohexyl cyclohexyliodide
CID 129657232
cis-Decalin-d10
CID 129659238
cis-Decalin-d
CID 129693364
(4aS,8aR)-2-deuterio-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 166447799
2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-8a-ylium
CID 21599268
Decahydro-2-(iodomethyl)naphthalene
CID 2763008

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 14026385) is 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is IC1CCC2CCCCC2C1.
What is the InChIKey of 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is JJBLDLILXPWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2.
What are the key properties of 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 264.15 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 14026385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).