2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline

C35H49NO2 — CID 11840448

IUPAC2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
SMILESCCCCCCCCCCCCOc1ccc(/C=C\c2ccc3cccc(OCCCCCC)c3n2)cc1
InChIInChI=1S/C35H49NO2/c1-3-5-7-9-10-11-12-13-14-16-28-37-33-26-21-30(22-27-33)20-24-32-25-23-31-18-17-19-34(35(31)36-32)38-29-15-8-6-4-2/h17-27H,3-16,28-29H2,1-2H3/b24-20-
InChIKeyDUVGZEPKBSFNHK-GFMRDNFCSA-N
MW515.78 g/mol
LogP10.66
Rot. Bonds20

About 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline

2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline (PubChem CID 11840448) has the molecular formula C35H49NO2 and a molecular weight of 515.78 g/mol. Its IUPAC name is 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline.

Molecular Properties

Compound Name2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
PubChem CID11840448
Molecular FormulaC35H49NO2
Molecular Weight515.78 g/mol
Exact Mass515.38
IUPAC Name2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
SMILESCCCCCCCCCCCCOc1ccc(/C=C\c2ccc3cccc(OCCCCCC)c3n2)cc1
InChIInChI=1S/C35H49NO2/c1-3-5-7-9-10-11-12-13-14-16-28-37-33-26-21-30(22-27-33)20-24-32-25-23-31-18-17-19-34(35(31)36-32)38-29-15-8-6-4-2/h17-27H,3-16,28-29H2,1-2H3/b24-20-
InChIKeyDUVGZEPKBSFNHK-GFMRDNFCSA-N
XLogP10.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.78
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
2-[(E)-2-(4-heptoxyphenyl)ethenyl]-5-heptylpyridine
CID 6184347
9,10-bis[(E)-2-(4-heptoxyphenyl)ethenyl]anthracene
CID 102099512
2-[(E)-2-(2,4-didodecoxyphenyl)ethenyl]quinoline
CID 14070072
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
CID 69499097
2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol
CID 164611458
1,6-dipentoxynaphthalene
CID 22144299

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline?
The IUPAC name of 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline (CID 11840448) is 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline.
What is the SMILES notation for 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline?
The canonical SMILES for 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline is CCCCCCCCCCCCOc1ccc(/C=C\c2ccc3cccc(OCCCCCC)c3n2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline?
The InChIKey is DUVGZEPKBSFNHK-GFMRDNFCSA-N. The full InChI is InChI=1S/C35H49NO2/c1-3-5-7-9-10-11-12-13-14-16-28-37-33-26-21-30(22-27-33)20-24-32-25-23-31-18-17-19-34(35(31)36-32)38-29-15-8-6-4-2/h17-27H,3-16,28-29H2,1-2H3/b24-20-.
What are the key properties of 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline?
2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline has a molecular weight of 515.78 g/mol, XLogP of 10.66, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline is sourced from PubChem (CID 11840448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).