1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene

C18H28O — CID 83932735

IUPAC1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene
SMILESC/C=C\CC(C)c1ccc(OCCCCCC)cc1
InChIInChI=1S/C18H28O/c1-4-6-8-9-15-19-18-13-11-17(12-14-18)16(3)10-7-5-2/h5,7,11-14,16H,4,6,8-10,15H2,1-3H3/b7-5-
InChIKeyOKWRJNXOJATPOZ-ALCCZGGFSA-N
MW260.42 g/mol
LogP5.72
Rot. Bonds9

About 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene

1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene (PubChem CID 83932735) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene.

Molecular Properties

Compound Name1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene
PubChem CID83932735
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene
SMILESC/C=C\CC(C)c1ccc(OCCCCCC)cc1
InChIInChI=1S/C18H28O/c1-4-6-8-9-15-19-18-13-11-17(12-14-18)16(3)10-7-5-2/h5,7,11-14,16H,4,6,8-10,15H2,1-3H3/b7-5-
InChIKeyOKWRJNXOJATPOZ-ALCCZGGFSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.72
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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
1,4-dipentoxybenzene
CID 18314717
bis(4-octoxyphenyl)methanol
CID 139262063
1,2-bis(4-octadecoxyphenyl)ethane-1,2-dithiol
CID 101102634
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640
4-(4-hexoxyphenyl)pentanenitrile
CID 83932713
4-[2-(4-hexoxyphenyl)propyl]phenol
CID 174617402
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene?
The IUPAC name of 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene (CID 83932735) is 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene.
What is the SMILES notation for 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene?
The canonical SMILES for 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene is C/C=C\CC(C)c1ccc(OCCCCCC)cc1.
What is the InChIKey of 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene?
The InChIKey is OKWRJNXOJATPOZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C18H28O/c1-4-6-8-9-15-19-18-13-11-17(12-14-18)16(3)10-7-5-2/h5,7,11-14,16H,4,6,8-10,15H2,1-3H3/b7-5-.
What are the key properties of 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene?
1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-en-2-yl]-4-hexoxybenzene is sourced from PubChem (CID 83932735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).