1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene

C19H30S — CID 170345371

IUPAC1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene
SMILESCCC(C)c1ccccc1/C(=C(\C)SC(C)C)C(C)C
InChIInChI=1S/C19H30S/c1-8-15(6)17-11-9-10-12-18(17)19(13(2)3)16(7)20-14(4)5/h9-15H,8H2,1-7H3/b19-16+
InChIKeyOJKJWWPFELRUNX-KNTRCKAVSA-N
MW290.52 g/mol
LogP6.73
Rot. Bonds6

About 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene

1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene (PubChem CID 170345371) has the molecular formula C19H30S and a molecular weight of 290.52 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene
PubChem CID170345371
Molecular FormulaC19H30S
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene
SMILESCCC(C)c1ccccc1/C(=C(\C)SC(C)C)C(C)C
InChIInChI=1S/C19H30S/c1-8-15(6)17-11-9-10-12-18(17)19(13(2)3)16(7)20-14(4)5/h9-15H,8H2,1-7H3/b19-16+
InChIKeyOJKJWWPFELRUNX-KNTRCKAVSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide
CID 3659695
1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
CID 154414077
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol
CID 141322259
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586
(2-methyl-3-phenylbutan-2-yl) 2-butan-2-ylbenzoate
CID 118040109

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene?
The IUPAC name of 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene (CID 170345371) is 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene.
What is the SMILES notation for 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene?
The canonical SMILES for 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene is CCC(C)c1ccccc1/C(=C(\C)SC(C)C)C(C)C.
What is the InChIKey of 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene?
The InChIKey is OJKJWWPFELRUNX-KNTRCKAVSA-N. The full InChI is InChI=1S/C19H30S/c1-8-15(6)17-11-9-10-12-18(17)19(13(2)3)16(7)20-14(4)5/h9-15H,8H2,1-7H3/b19-16+.
What are the key properties of 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene?
1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene has a molecular weight of 290.52 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(E)-4-methyl-2-propan-2-ylsulfanylpent-2-en-3-yl]benzene is sourced from PubChem (CID 170345371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).