2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C11H19I — CID 2763008

IUPAC2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESICC1CCC2CCCCC2C1
InChIInChI=1S/C11H19I/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h9-11H,1-8H2
InChIKeyADYQLAVZKBOMMR-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.03
Rot. Bonds1

About 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 2763008) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID2763008
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESICC1CCC2CCCCC2C1
InChIInChI=1S/C11H19I/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h9-11H,1-8H2
InChIKeyADYQLAVZKBOMMR-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.03
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 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 2763008) is 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is ICC1CCC2CCCCC2C1.
What is the InChIKey of 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is ADYQLAVZKBOMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h9-11H,1-8H2.
What are the key properties of 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 278.18 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 2763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).