(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C11H17I — CID 89282690

IUPAC(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=C[C@@H](I)CC2CCCCC12
InChIInChI=1S/C11H17I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h6,9-11H,2-5,7H2,1H3/t9?,10-,11?/m1/s1
InChIKeyDCOWKRXRSMLXOS-HSOILSAZSA-N
MW276.16 g/mol
LogP3.95
Rot. Bonds

About (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 89282690) has the molecular formula C11H17I and a molecular weight of 276.16 g/mol. Its IUPAC name is (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID89282690
Molecular FormulaC11H17I
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=C[C@@H](I)CC2CCCCC12
InChIInChI=1S/C11H17I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h6,9-11H,2-5,7H2,1H3/t9?,10-,11?/m1/s1
InChIKeyDCOWKRXRSMLXOS-HSOILSAZSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 89282690) is (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is CC1=C[C@@H](I)CC2CCCCC12.
What is the InChIKey of (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is DCOWKRXRSMLXOS-HSOILSAZSA-N. The full InChI is InChI=1S/C11H17I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h6,9-11H,2-5,7H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 276.16 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 89282690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).