1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene

C65H100O6 — CID 177462913

IUPAC1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
SMILESC=Cc1cc(OCCCCCCCCCCCC)c(/C=C/c2cc(OCCCCCCCCCCCC)c(/C=C\c3cc(OCCCCCCCCCCCC)c(C=C)cc3OC)cc2OC)cc1OC
InChIInChI=1S/C65H100O6/c1-9-14-17-20-23-26-29-32-35-38-45-69-63-52-56(61(67-7)48-55(63)13-5)41-44-59-51-62(68-8)57(53-65(59)71-47-40-37-34-31-28-25-22-19-16-11-3)42-43-58-50-60(66-6)54(12-4)49-64(58)70-46-39-36-33-30-27-24-21-18-15-10-2/h12-13,41-44,48-53H,4-5,9-11,14-40,45-47H2,1-3,6-8H3/b43-42+,44-41-
InChIKeyKPPPLBNHROVBLF-YMYXCPNHSA-N
MW977.51 g/mol
LogP20.24
Rot. Bonds45

About 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene

1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene (PubChem CID 177462913) has the molecular formula C65H100O6 and a molecular weight of 977.51 g/mol. Its IUPAC name is 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene.

Molecular Properties

Compound Name1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
PubChem CID177462913
Molecular FormulaC65H100O6
Molecular Weight977.51 g/mol
Exact Mass976.75
IUPAC Name1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
SMILESC=Cc1cc(OCCCCCCCCCCCC)c(/C=C/c2cc(OCCCCCCCCCCCC)c(/C=C\c3cc(OCCCCCCCCCCCC)c(C=C)cc3OC)cc2OC)cc1OC
InChIInChI=1S/C65H100O6/c1-9-14-17-20-23-26-29-32-35-38-45-69-63-52-56(61(67-7)48-55(63)13-5)41-44-59-51-62(68-8)57(53-65(59)71-47-40-37-34-31-28-25-22-19-16-11-3)42-43-58-50-60(66-6)54(12-4)49-64(58)70-46-39-36-33-30-27-24-21-18-15-10-2/h12-13,41-44,48-53H,4-5,9-11,14-40,45-47H2,1-3,6-8H3/b43-42+,44-41-
InChIKeyKPPPLBNHROVBLF-YMYXCPNHSA-N
XLogP20.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds45
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.51
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
1-decoxy-2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-4,5-dimethylbenzene
CID 58038590
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hexadecoxy-5-methoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 102389552
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
1-[2-[4-[2-[4-[2-[2,5-dihexadecoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 177389517
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
(E)-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-carboxyethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]prop-2-enoic acid
CID 102032929
1-ethenyl-2-heptadecoxybenzene
CID 139672731
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
CID 177480609

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene?
The IUPAC name of 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene (CID 177462913) is 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene.
What is the SMILES notation for 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene?
The canonical SMILES for 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene is C=Cc1cc(OCCCCCCCCCCCC)c(/C=C/c2cc(OCCCCCCCCCCCC)c(/C=C\c3cc(OCCCCCCCCCCCC)c(C=C)cc3OC)cc2OC)cc1OC.
What is the InChIKey of 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene?
The InChIKey is KPPPLBNHROVBLF-YMYXCPNHSA-N. The full InChI is InChI=1S/C65H100O6/c1-9-14-17-20-23-26-29-32-35-38-45-69-63-52-56(61(67-7)48-55(63)13-5)41-44-59-51-62(68-8)57(53-65(59)71-47-40-37-34-31-28-25-22-19-16-11-3)42-43-58-50-60(66-6)54(12-4)49-64(58)70-46-39-36-33-30-27-24-21-18-15-10-2/h12-13,41-44,48-53H,4-5,9-11,14-40,45-47H2,1-3,6-8H3/b43-42+,44-41-.
What are the key properties of 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene?
1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene has a molecular weight of 977.51 g/mol, XLogP of 20.24, 45 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene is sourced from PubChem (CID 177462913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).