1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene

C26H38O — CID 7038972

IUPAC1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
SMILESCc1c(C)c(C)c([C@H](C)O[C@@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H38O/c1-13-15(3)19(7)25(20(8)16(13)4)23(11)27-24(12)26-21(9)17(5)14(2)18(6)22(26)10/h23-24H,1-12H3/t23-,24-/m0/s1
InChIKeyHJPUYZSEGWLQKH-ZEQRLZLVSA-N
MW366.59 g/mol
LogP7.61
Rot. Bonds4

About 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene

1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene (PubChem CID 7038972) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
PubChem CID7038972
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
SMILESCc1c(C)c(C)c([C@H](C)O[C@@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H38O/c1-13-15(3)19(7)25(20(8)16(13)4)23(11)27-24(12)26-21(9)17(5)14(2)18(6)22(26)10/h23-24H,1-12H3/t23-,24-/m0/s1
InChIKeyHJPUYZSEGWLQKH-ZEQRLZLVSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5-pentamethyl-6-[(1R)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
CID 7038971
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 20692314
isocyanic acid;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 88633561
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
CID 18724216
1-(1-chloro-2-methylbutyl)-2,3,4,5,6-pentamethylbenzene
CID 63430342
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
CID 159127146
2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
CID 157183608
(1S)-3-methyl-1-(2,3,4,5,6-pentamethylphenyl)butan-1-amine
CID 28525663
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
CID 171270666
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene (CID 7038972) is 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene is Cc1c(C)c(C)c([C@H](C)O[C@@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene?
The InChIKey is HJPUYZSEGWLQKH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H38O/c1-13-15(3)19(7)25(20(8)16(13)4)23(11)27-24(12)26-21(9)17(5)14(2)18(6)22(26)10/h23-24H,1-12H3/t23-,24-/m0/s1.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene?
1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene is sourced from PubChem (CID 7038972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).