1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene

C23H34S — CID 123760379

IUPAC1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene
SMILESCC1C=CC=C(C(C)(C)CSC2=CC=C(C3CCCCC3)CC2)C1
InChIInChI=1S/C23H34S/c1-18-8-7-11-21(16-18)23(2,3)17-24-22-14-12-20(13-15-22)19-9-5-4-6-10-19/h7-8,11-12,14,18-19H,4-6,9-10,13,15-17H2,1-3H3
InChIKeyLYGJBTVHOOORAX-UHFFFAOYSA-N
MW342.59 g/mol
LogP7.45
Rot. Bonds5

About 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene

1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene (PubChem CID 123760379) has the molecular formula C23H34S and a molecular weight of 342.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene
PubChem CID123760379
Molecular FormulaC23H34S
Molecular Weight342.59 g/mol
Exact Mass342.24
IUPAC Name1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene
SMILESCC1C=CC=C(C(C)(C)CSC2=CC=C(C3CCCCC3)CC2)C1
InChIInChI=1S/C23H34S/c1-18-8-7-11-21(16-18)23(2,3)17-24-22-14-12-20(13-15-22)19-9-5-4-6-10-19/h7-8,11-12,14,18-19H,4-6,9-10,13,15-17H2,1-3H3
InChIKeyLYGJBTVHOOORAX-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene with MolForge

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Related Compounds

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CID 6439784
(5S)-5-[(2S)-butan-2-yl]-1-[(2R)-5-fluoro-2-propylhexyl]-5-methyl-3-(prop-1-en-2-ylsulfanylmethyl)cyclohexa-1,3-diene
CID 166922161
(3,5-Dimethylcyclohexen-1-yl)-(3,5-dimethylcyclohex-2-en-1-yl)-(4-fluorocyclohexyl)-methyl-lambda4-sulfane
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(2S)-2-[(1S)-1,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl]thiane
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4-Ethyl-6-methyl-hexahydrodibenzothiophene
CID 129688281
2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-1,3-dithiane
CID 9820957
9-Ethenyl-8,11,11-trimethyl-7-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-8-ene
CID 10426441
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-1,3-dithiane
CID 10926867
2-(3,7-Dimethyl-9-methylsulfanylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 135572
2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 9851026
1,3,3-trimethyl-2-[(1E,3E,5E,7E)-3,5,7-trimethyl-9-[(2E,4E,6E,8E)-3,5,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanylnona-1,3,5,7-tetraenyl]cyclohexene
CID 21348934
2-[9-[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfanyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 54046628

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene (CID 123760379) is 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene is CC1C=CC=C(C(C)(C)CSC2=CC=C(C3CCCCC3)CC2)C1.
What is the InChIKey of 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene?
The InChIKey is LYGJBTVHOOORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34S/c1-18-8-7-11-21(16-18)23(2,3)17-24-22-14-12-20(13-15-22)19-9-5-4-6-10-19/h7-8,11-12,14,18-19H,4-6,9-10,13,15-17H2,1-3H3.
What are the key properties of 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene?
1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene has a molecular weight of 342.59 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123760379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).