5,5,7,7-tetramethyloctylsulfinylbenzene

C18H30OS — CID 143236575

IUPAC5,5,7,7-tetramethyloctylsulfinylbenzene
SMILESCC(C)(C)CC(C)(C)CCCCS(=O)c1ccccc1
InChIInChI=1S/C18H30OS/c1-17(2,3)15-18(4,5)13-9-10-14-20(19)16-11-7-6-8-12-16/h6-8,11-12H,9-10,13-15H2,1-5H3
InChIKeyHUQCBWVDUGRPPP-UHFFFAOYSA-N
MW294.50 g/mol
LogP5.43
Rot. Bonds7

About 5,5,7,7-tetramethyloctylsulfinylbenzene

5,5,7,7-tetramethyloctylsulfinylbenzene (PubChem CID 143236575) has the molecular formula C18H30OS and a molecular weight of 294.50 g/mol. Its IUPAC name is 5,5,7,7-tetramethyloctylsulfinylbenzene.

Molecular Properties

Compound Name5,5,7,7-tetramethyloctylsulfinylbenzene
PubChem CID143236575
Molecular FormulaC18H30OS
Molecular Weight294.50 g/mol
Exact Mass294.20
IUPAC Name5,5,7,7-tetramethyloctylsulfinylbenzene
SMILESCC(C)(C)CC(C)(C)CCCCS(=O)c1ccccc1
InChIInChI=1S/C18H30OS/c1-17(2,3)15-18(4,5)13-9-10-14-20(19)16-11-7-6-8-12-16/h6-8,11-12H,9-10,13-15H2,1-5H3
InChIKeyHUQCBWVDUGRPPP-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15525512
14-(benzenesulfinyl)-2,2-dichlorotetradecanoic acid
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CID 10937741
4-(benzenesulfinyl)butylazanium chloride
CID 118514356
[(R)-hex-5-ynylsulfinyl]benzene
CID 125476852
3-(benzenesulfinyl)propyl-trimethoxysilane
CID 18512472
pent-4-enylsulfinylbenzene
CID 15893040
6-(3,4-difluorophenyl)sulfinyl-2,2-dimethylhexan-1-amine
CID 106714797
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
1-[4-(benzenesulfinyl)butyl]imidazole
CID 58580469
3-(benzenesulfinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64660415
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
CID 21391051

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyloctylsulfinylbenzene?
The IUPAC name of 5,5,7,7-tetramethyloctylsulfinylbenzene (CID 143236575) is 5,5,7,7-tetramethyloctylsulfinylbenzene.
What is the SMILES notation for 5,5,7,7-tetramethyloctylsulfinylbenzene?
The canonical SMILES for 5,5,7,7-tetramethyloctylsulfinylbenzene is CC(C)(C)CC(C)(C)CCCCS(=O)c1ccccc1.
What is the InChIKey of 5,5,7,7-tetramethyloctylsulfinylbenzene?
The InChIKey is HUQCBWVDUGRPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OS/c1-17(2,3)15-18(4,5)13-9-10-14-20(19)16-11-7-6-8-12-16/h6-8,11-12H,9-10,13-15H2,1-5H3.
What are the key properties of 5,5,7,7-tetramethyloctylsulfinylbenzene?
5,5,7,7-tetramethyloctylsulfinylbenzene has a molecular weight of 294.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyloctylsulfinylbenzene is sourced from PubChem (CID 143236575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).