[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene

C15H22OS — CID 11118501

IUPAC[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene
SMILESC=CC[C@@H](CC(C)(C)C)[S@@](=O)c1ccccc1
InChIInChI=1S/C15H22OS/c1-5-9-14(12-15(2,3)4)17(16)13-10-7-6-8-11-13/h5-8,10-11,14H,1,9,12H2,2-4H3/t14-,17-/m0/s1
InChIKeyNRKVHRSWBSJLJP-YOEHRIQHSA-N
MW250.41 g/mol
LogP4.18
Rot. Bonds5

About [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene

[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene (PubChem CID 11118501) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene.

Molecular Properties

Compound Name[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene
PubChem CID11118501
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene
SMILESC=CC[C@@H](CC(C)(C)C)[S@@](=O)c1ccccc1
InChIInChI=1S/C15H22OS/c1-5-9-14(12-15(2,3)4)17(16)13-10-7-6-8-11-13/h5-8,10-11,14H,1,9,12H2,2-4H3/t14-,17-/m0/s1
InChIKeyNRKVHRSWBSJLJP-YOEHRIQHSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene?
The IUPAC name of [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene (CID 11118501) is [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene.
What is the SMILES notation for [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene?
The canonical SMILES for [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene is C=CC[C@@H](CC(C)(C)C)[S@@](=O)c1ccccc1.
What is the InChIKey of [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene?
The InChIKey is NRKVHRSWBSJLJP-YOEHRIQHSA-N. The full InChI is InChI=1S/C15H22OS/c1-5-9-14(12-15(2,3)4)17(16)13-10-7-6-8-11-13/h5-8,10-11,14H,1,9,12H2,2-4H3/t14-,17-/m0/s1.
What are the key properties of [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene?
[(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene has a molecular weight of 250.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfinyl]benzene is sourced from PubChem (CID 11118501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).