2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene

C22H30S — CID 146653355

IUPAC2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene
SMILESCC(C)(C)C/C=C/c1cccc(CC(C)(C)Cc2cccs2)c1
InChIInChI=1S/C22H30S/c1-21(2,3)13-7-11-18-9-6-10-19(15-18)16-22(4,5)17-20-12-8-14-23-20/h6-12,14-15H,13,16-17H2,1-5H3/b11-7+
InChIKeyUILANIOHROLZMF-YRNVUSSQSA-N
MW326.55 g/mol
LogP7.01
Rot. Bonds6

About 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene

2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene (PubChem CID 146653355) has the molecular formula C22H30S and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene.

Molecular Properties

Compound Name2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene
PubChem CID146653355
Molecular FormulaC22H30S
Molecular Weight326.55 g/mol
Exact Mass326.21
IUPAC Name2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene
SMILESCC(C)(C)C/C=C/c1cccc(CC(C)(C)Cc2cccs2)c1
InChIInChI=1S/C22H30S/c1-21(2,3)13-7-11-18-9-6-10-19(15-18)16-22(4,5)17-20-12-8-14-23-20/h6-12,14-15H,13,16-17H2,1-5H3/b11-7+
InChIKeyUILANIOHROLZMF-YRNVUSSQSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 154360412
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N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
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4-[3-(methylaminomethyl)phenyl]but-3-enal
CID 170481882
(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 164887963
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546325
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
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CID 119107424

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene?
The IUPAC name of 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene (CID 146653355) is 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene.
What is the SMILES notation for 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene?
The canonical SMILES for 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene is CC(C)(C)C/C=C/c1cccc(CC(C)(C)Cc2cccs2)c1.
What is the InChIKey of 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene?
The InChIKey is UILANIOHROLZMF-YRNVUSSQSA-N. The full InChI is InChI=1S/C22H30S/c1-21(2,3)13-7-11-18-9-6-10-19(15-18)16-22(4,5)17-20-12-8-14-23-20/h6-12,14-15H,13,16-17H2,1-5H3/b11-7+.
What are the key properties of 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene?
2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene has a molecular weight of 326.55 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(E)-4,4-dimethylpent-1-enyl]phenyl]-2,2-dimethylpropyl]thiophene is sourced from PubChem (CID 146653355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).