1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene

C18H26O — CID 54241821

IUPAC1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
SMILESCCc1ccc(OCC=C(C)CCC=C(C)C)cc1
InChIInChI=1S/C18H26O/c1-5-17-9-11-18(12-10-17)19-14-13-16(4)8-6-7-15(2)3/h7,9-13H,5-6,8,14H2,1-4H3
InChIKeyQQODMMAOWZZGSL-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.32
Rot. Bonds7

About 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene

1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene (PubChem CID 54241821) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene.

Molecular Properties

Compound Name1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
PubChem CID54241821
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
SMILESCCc1ccc(OCC=C(C)CCC=C(C)C)cc1
InChIInChI=1S/C18H26O/c1-5-17-9-11-18(12-10-17)19-14-13-16(4)8-6-7-15(2)3/h7,9-13H,5-6,8,14H2,1-4H3
InChIKeyQQODMMAOWZZGSL-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
CID 5383734
3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-oxopropanoic acid
CID 67490782
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
2-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2,3,3-trimethyloxirane
CID 21487647
ethyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-methylprop-2-enoate
CID 168749372
ethyl (Z)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-methylprop-2-enoate
CID 168749356
1-(7-butoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
CID 54240615
1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
CID 5383800
N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide
CID 22101898
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene?
The IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene (CID 54241821) is 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene.
What is the SMILES notation for 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene?
The canonical SMILES for 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene is CCc1ccc(OCC=C(C)CCC=C(C)C)cc1.
What is the InChIKey of 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene?
The InChIKey is QQODMMAOWZZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-5-17-9-11-18(12-10-17)19-14-13-16(4)8-6-7-15(2)3/h7,9-13H,5-6,8,14H2,1-4H3.
What are the key properties of 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene?
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene has a molecular weight of 258.40 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene is sourced from PubChem (CID 54241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).