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

C10H17I — CID 14341784

IUPAC(4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESIC1CCC[C@H]2CCCC[C@@H]12
InChIInChI=1S/C10H17I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyFBCFYDPJMWEFAB-MGRQHWMJSA-N
MW264.15 g/mol
LogP3.78
Rot. Bonds

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

(4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 14341784) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID14341784
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name(4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESIC1CCC[C@H]2CCCC[C@@H]12
InChIInChI=1S/C10H17I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyFBCFYDPJMWEFAB-MGRQHWMJSA-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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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 14341784) is (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is IC1CCC[C@H]2CCCC[C@@H]12.
What is the InChIKey of (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is FBCFYDPJMWEFAB-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H17I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2/t8-,9-,10?/m1/s1.
What are the key properties of (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(4aR,8aR)-1-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 (4aR,8aR)-1-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 14341784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).