1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene

C23H38 — CID 155725856

IUPAC1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene
SMILESC/C=C(\C)c1ccc([C@H](C)CCC(C)CCC(C)CCC)cc1
InChIInChI=1S/C23H38/c1-7-9-18(3)10-11-19(4)12-13-21(6)23-16-14-22(15-17-23)20(5)8-2/h8,14-19,21H,7,9-13H2,1-6H3/b20-8+/t18?,19?,21-/m1/s1
InChIKeyNFENPZFQOZRPGR-LDMLRUGOSA-N
MW314.56 g/mol
LogP7.85
Rot. Bonds10

About 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene

1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene (PubChem CID 155725856) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene
PubChem CID155725856
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene
SMILESC/C=C(\C)c1ccc([C@H](C)CCC(C)CCC(C)CCC)cc1
InChIInChI=1S/C23H38/c1-7-9-18(3)10-11-19(4)12-13-21(6)23-16-14-22(15-17-23)20(5)8-2/h8,14-19,21H,7,9-13H2,1-6H3/b20-8+/t18?,19?,21-/m1/s1
InChIKeyNFENPZFQOZRPGR-LDMLRUGOSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
1-methyl-4-(5-methylundecan-2-yl)benzene
CID 90908464
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
phenyl 4-pentan-2-ylbenzoate
CID 57043329
sodium;hydride;4-(7-methyldecan-2-yl)benzenesulfonic acid
CID 173054199
1-[4-(7-methylnonan-4-yl)phenyl]ethanone
CID 143452175
pentan-2-ylbenzene
CID 17627
1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol
CID 66629628
ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene (CID 155725856) is 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene is C/C=C(\C)c1ccc([C@H](C)CCC(C)CCC(C)CCC)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene?
The InChIKey is NFENPZFQOZRPGR-LDMLRUGOSA-N. The full InChI is InChI=1S/C23H38/c1-7-9-18(3)10-11-19(4)12-13-21(6)23-16-14-22(15-17-23)20(5)8-2/h8,14-19,21H,7,9-13H2,1-6H3/b20-8+/t18?,19?,21-/m1/s1.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene?
1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene has a molecular weight of 314.56 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-[(2R)-5,8-dimethylundecan-2-yl]benzene is sourced from PubChem (CID 155725856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).