(4R)-4-iodo-3,3,6-trimethylcyclohexene

C9H15I — CID 135216905

IUPAC(4R)-4-iodo-3,3,6-trimethylcyclohexene
SMILESCC1C=CC(C)(C)[C@H](I)C1
InChIInChI=1S/C9H15I/c1-7-4-5-9(2,3)8(10)6-7/h4-5,7-8H,6H2,1-3H3/t7?,8-/m1/s1
InChIKeyNHFLFDLWLPPVMI-BRFYHDHCSA-N
MW250.12 g/mol
LogP3.41
Rot. Bonds

About (4R)-4-iodo-3,3,6-trimethylcyclohexene

(4R)-4-iodo-3,3,6-trimethylcyclohexene (PubChem CID 135216905) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (4R)-4-iodo-3,3,6-trimethylcyclohexene.

Molecular Properties

Compound Name(4R)-4-iodo-3,3,6-trimethylcyclohexene
PubChem CID135216905
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(4R)-4-iodo-3,3,6-trimethylcyclohexene
SMILESCC1C=CC(C)(C)[C@H](I)C1
InChIInChI=1S/C9H15I/c1-7-4-5-9(2,3)8(10)6-7/h4-5,7-8H,6H2,1-3H3/t7?,8-/m1/s1
InChIKeyNHFLFDLWLPPVMI-BRFYHDHCSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.41
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 (4R)-4-iodo-3,3,6-trimethylcyclohexene?
The IUPAC name of (4R)-4-iodo-3,3,6-trimethylcyclohexene (CID 135216905) is (4R)-4-iodo-3,3,6-trimethylcyclohexene.
What is the SMILES notation for (4R)-4-iodo-3,3,6-trimethylcyclohexene?
The canonical SMILES for (4R)-4-iodo-3,3,6-trimethylcyclohexene is CC1C=CC(C)(C)[C@H](I)C1.
What is the InChIKey of (4R)-4-iodo-3,3,6-trimethylcyclohexene?
The InChIKey is NHFLFDLWLPPVMI-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H15I/c1-7-4-5-9(2,3)8(10)6-7/h4-5,7-8H,6H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (4R)-4-iodo-3,3,6-trimethylcyclohexene?
(4R)-4-iodo-3,3,6-trimethylcyclohexene has a molecular weight of 250.12 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-iodo-3,3,6-trimethylcyclohexene is sourced from PubChem (CID 135216905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).