sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene

C17H24O2S — CID 159799333

IUPACsulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
SMILESC[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1C.O=S=O
InChIInChI=1S/C17H24.O2S/c1-12-10-11-17(15(4)14(3)13(12)2)16-8-6-5-7-9-16;1-3-2/h5-9,11-15H,10H2,1-4H3;/t12-,13+,14+,15+;/m1./s1
InChIKeyNJOVJYSWMQOVLA-SJFOYXCYSA-N
MW292.44 g/mol
LogP4.35
Rot. Bonds1

About sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene

sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene (PubChem CID 159799333) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene.

Molecular Properties

Compound Namesulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
PubChem CID159799333
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Namesulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
SMILESC[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1C.O=S=O
InChIInChI=1S/C17H24.O2S/c1-12-10-11-17(15(4)14(3)13(12)2)16-8-6-5-7-9-16;1-3-2/h5-9,11-15H,10H2,1-4H3;/t12-,13+,14+,15+;/m1./s1
InChIKeyNJOVJYSWMQOVLA-SJFOYXCYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
CID 130290357
(4-methylcyclobuten-1-yl)benzene
CID 173414108
2-phenylcyclobut-2-ene-1-carbonyl chloride
CID 141041006
(1R,5S,6S)-5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid
CID 76961804
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
(1R,2R,6S,7S)-2,7-dimethyl-3-phenyl-6-triethylsilyloxycyclohept-3-en-1-ol
CID 162464129
(1R,2R,7R)-2,7-dimethyl-3-phenyl-6-triethylsilyloxycyclohept-3-en-1-ol
CID 174109430
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
2-phenylcyclobut-2-ene-1-sulfinate
CID 174587198
4,5-dimethyl-3-phenylcyclopent-2-en-1-one
CID 139667447
(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
CID 157468333
[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
CID 101214144

Frequently Asked Questions

What is the IUPAC name of sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene?
The IUPAC name of sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene (CID 159799333) is sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene.
What is the SMILES notation for sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene?
The canonical SMILES for sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene is C[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1C.O=S=O.
What is the InChIKey of sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene?
The InChIKey is NJOVJYSWMQOVLA-SJFOYXCYSA-N. The full InChI is InChI=1S/C17H24.O2S/c1-12-10-11-17(15(4)14(3)13(12)2)16-8-6-5-7-9-16;1-3-2/h5-9,11-15H,10H2,1-4H3;/t12-,13+,14+,15+;/m1./s1.
What are the key properties of sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene?
sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene has a molecular weight of 292.44 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene is sourced from PubChem (CID 159799333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).