1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene

C78H102O6 — CID 10920282

IUPAC1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene
SMILESCOC(C)(C)c1ccc(CCc2c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c2CCc2ccc(C(C)(C)OC)cc2)cc1
InChIInChI=1S/C78H102O6/c1-73(2,79-13)61-37-19-55(20-38-61)31-49-67-68(50-32-56-21-39-62(40-22-56)74(3,4)80-14)70(52-34-58-25-43-64(44-26-58)76(7,8)82-16)72(54-36-60-29-47-66(48-30-60)78(11,12)84-18)71(53-35-59-27-45-65(46-28-59)77(9,10)83-17)69(67)51-33-57-23-41-63(42-24-57)75(5,6)81-15/h19-30,37-48H,31-36,49-54H2,1-18H3
InChIKeyOAPKAADZGXFMEA-UHFFFAOYSA-N
MW1135.67 g/mol
LogP17.69
Rot. Bonds30

About 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene

1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene (PubChem CID 10920282) has the molecular formula C78H102O6 and a molecular weight of 1135.67 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene
PubChem CID10920282
Molecular FormulaC78H102O6
Molecular Weight1135.67 g/mol
Exact Mass1134.77
IUPAC Name1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene
SMILESCOC(C)(C)c1ccc(CCc2c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c2CCc2ccc(C(C)(C)OC)cc2)cc1
InChIInChI=1S/C78H102O6/c1-73(2,79-13)61-37-19-55(20-38-61)31-49-67-68(50-32-56-21-39-62(40-22-56)74(3,4)80-14)70(52-34-58-25-43-64(44-26-58)76(7,8)82-16)72(54-36-60-29-47-66(48-30-60)78(11,12)84-18)71(53-35-59-27-45-65(46-28-59)77(9,10)83-17)69(67)51-33-57-23-41-63(42-24-57)75(5,6)81-15/h19-30,37-48H,31-36,49-54H2,1-18H3
InChIKeyOAPKAADZGXFMEA-UHFFFAOYSA-N
XLogP17.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.67
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
CID 117411194
[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine
CID 175884767
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
ethyl 4-(2-methoxypropan-2-yl)benzoate
CID 140896338
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene?
The IUPAC name of 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene (CID 10920282) is 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene?
The canonical SMILES for 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene is COC(C)(C)c1ccc(CCc2c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c(CCc3ccc(C(C)(C)OC)cc3)c2CCc2ccc(C(C)(C)OC)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene?
The InChIKey is OAPKAADZGXFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H102O6/c1-73(2,79-13)61-37-19-55(20-38-61)31-49-67-68(50-32-56-21-39-62(40-22-56)74(3,4)80-14)70(52-34-58-25-43-64(44-26-58)76(7,8)82-16)72(54-36-60-29-47-66(48-30-60)78(11,12)84-18)71(53-35-59-27-45-65(46-28-59)77(9,10)83-17)69(67)51-33-57-23-41-63(42-24-57)75(5,6)81-15/h19-30,37-48H,31-36,49-54H2,1-18H3.
What are the key properties of 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene?
1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene has a molecular weight of 1135.67 g/mol, XLogP of 17.69, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene is sourced from PubChem (CID 10920282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).