1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene

C21H30S — CID 176970365

IUPAC1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene
SMILESC=C(S/C(CC)=C(\C)CC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H30S/c1-5-16(3)21(6-2)22-17(4)18-12-14-20(15-13-18)19-10-8-7-9-11-19/h12-15,19H,4-11H2,1-3H3/b21-16+
InChIKeyLZGVSDMJUWITKN-LTGZKZEYSA-N
MW314.54 g/mol
LogP7.53
Rot. Bonds6

About 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene

1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene (PubChem CID 176970365) has the molecular formula C21H30S and a molecular weight of 314.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene
PubChem CID176970365
Molecular FormulaC21H30S
Molecular Weight314.54 g/mol
Exact Mass314.21
IUPAC Name1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene
SMILESC=C(S/C(CC)=C(\C)CC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H30S/c1-5-16(3)21(6-2)22-17(4)18-12-14-20(15-13-18)19-10-8-7-9-11-19/h12-15,19H,4-11H2,1-3H3/b21-16+
InChIKeyLZGVSDMJUWITKN-LTGZKZEYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline
CID 144794623
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine
CID 82085289
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
1-methyl-3-(4-prop-1-en-2-ylphenyl)azepane
CID 66742003
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene?
The IUPAC name of 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene (CID 176970365) is 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene.
What is the SMILES notation for 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene?
The canonical SMILES for 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene is C=C(S/C(CC)=C(\C)CC)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene?
The InChIKey is LZGVSDMJUWITKN-LTGZKZEYSA-N. The full InChI is InChI=1S/C21H30S/c1-5-16(3)21(6-2)22-17(4)18-12-14-20(15-13-18)19-10-8-7-9-11-19/h12-15,19H,4-11H2,1-3H3/b21-16+.
What are the key properties of 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene?
1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene has a molecular weight of 314.54 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene is sourced from PubChem (CID 176970365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).