6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene

C26H32O — CID 139852890

IUPAC6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCOc1ccc(-c2ccc3c(c2)CCC(CC/C=C/C)C3)cc1
InChIInChI=1S/C26H32O/c1-3-5-7-9-21-10-11-25-20-24(13-12-23(25)19-21)22-14-16-26(17-15-22)27-18-8-6-4-2/h3-6,12-17,20-21H,7-11,18-19H2,1-2H3/b5-3+,6-4+
InChIKeyHHEVEMNXWGGREI-GGWOSOGESA-N
MW360.54 g/mol
LogP7.16
Rot. Bonds8

About 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene

6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852890) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852890
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCOc1ccc(-c2ccc3c(c2)CCC(CC/C=C/C)C3)cc1
InChIInChI=1S/C26H32O/c1-3-5-7-9-21-10-11-25-20-24(13-12-23(25)19-21)22-14-16-26(17-15-22)27-18-8-6-4-2/h3-6,12-17,20-21H,7-11,18-19H2,1-2H3/b5-3+,6-4+
InChIKeyHHEVEMNXWGGREI-GGWOSOGESA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852063
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139853229
2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853030
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
4-(6-propyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzonitrile
CID 20500208

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene (CID 139852890) is 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/CCOc1ccc(-c2ccc3c(c2)CCC(CC/C=C/C)C3)cc1.
What is the InChIKey of 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HHEVEMNXWGGREI-GGWOSOGESA-N. The full InChI is InChI=1S/C26H32O/c1-3-5-7-9-21-10-11-25-20-24(13-12-23(25)19-21)22-14-16-26(17-15-22)27-18-8-6-4-2/h3-6,12-17,20-21H,7-11,18-19H2,1-2H3/b5-3+,6-4+.
What are the key properties of 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 360.54 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).