6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene

C20H24S — CID 141423884

IUPAC6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene
SMILESC=CC1(Sc2ccccc2)C=CC=CC1C1CCCCC1
InChIInChI=1S/C20H24S/c1-2-20(21-18-13-7-4-8-14-18)16-10-9-15-19(20)17-11-5-3-6-12-17/h2,4,7-10,13-17,19H,1,3,5-6,11-12H2
InChIKeyNIFMQPVDOBHMLH-UHFFFAOYSA-N
MW296.48 g/mol
LogP6.03
Rot. Bonds4

About 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene

6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene (PubChem CID 141423884) has the molecular formula C20H24S and a molecular weight of 296.48 g/mol. Its IUPAC name is 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene
PubChem CID141423884
Molecular FormulaC20H24S
Molecular Weight296.48 g/mol
Exact Mass296.16
IUPAC Name6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene
SMILESC=CC1(Sc2ccccc2)C=CC=CC1C1CCCCC1
InChIInChI=1S/C20H24S/c1-2-20(21-18-13-7-4-8-14-18)16-10-9-15-19(20)17-11-5-3-6-12-17/h2,4,7-10,13-17,19H,1,3,5-6,11-12H2
InChIKeyNIFMQPVDOBHMLH-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-ethenylcyclobutyl)sulfanylbenzene
CID 15882644
6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 155797646
cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol
CID 15937221
5-ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 160596200
benzene;cyclohexylcyclohexane
CID 160520949
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol
CID 177445922
(1S,2R)-1-cyclohexyl-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101265602
(1-cyclopropylcyclopropyl)sulfanylbenzene
CID 10774057
1,5-dicyclohexyl-6-methylidene-3-phenylsulfanylcyclohexa-1,4-diene
CID 136650683
(1-bromocyclohexa-2,4-dien-1-yl)sulfanylbenzene
CID 66721969

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene (CID 141423884) is 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene is C=CC1(Sc2ccccc2)C=CC=CC1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene?
The InChIKey is NIFMQPVDOBHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S/c1-2-20(21-18-13-7-4-8-14-18)16-10-9-15-19(20)17-11-5-3-6-12-17/h2,4,7-10,13-17,19H,1,3,5-6,11-12H2.
What are the key properties of 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene?
6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene has a molecular weight of 296.48 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 141423884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).