1-[(E)-dec-5-en-5-yl]-4-methoxybenzene

C17H26O — CID 102307360

IUPAC1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
SMILESCCCC/C=C(\CCCC)c1ccc(OC)cc1
InChIInChI=1S/C17H26O/c1-4-6-8-10-15(9-7-5-2)16-11-13-17(18-3)14-12-16/h10-14H,4-9H2,1-3H3/b15-10+
InChIKeyPDAFTLLZTIMNJL-XNTDXEJSSA-N
MW246.39 g/mol
LogP5.46
Rot. Bonds8

About 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene

1-[(E)-dec-5-en-5-yl]-4-methoxybenzene (PubChem CID 102307360) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
PubChem CID102307360
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
SMILESCCCC/C=C(\CCCC)c1ccc(OC)cc1
InChIInChI=1S/C17H26O/c1-4-6-8-10-15(9-7-5-2)16-11-13-17(18-3)14-12-16/h10-14H,4-9H2,1-3H3/b15-10+
InChIKeyPDAFTLLZTIMNJL-XNTDXEJSSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
ethyl 4-[(E)-dec-5-en-5-yl]benzoate
CID 102307363
4-[(E)-dec-5-en-5-yl]benzonitrile
CID 102307361
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
4-methoxy-N-pentanoylbenzamide
CID 175364766
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389
(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 14347294
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
5-(4-methoxyphenyl)deca-2,4-dienamide
CID 57201086
1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene
CID 15525921
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene (CID 102307360) is 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene is CCCC/C=C(\CCCC)c1ccc(OC)cc1.
What is the InChIKey of 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene?
The InChIKey is PDAFTLLZTIMNJL-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H26O/c1-4-6-8-10-15(9-7-5-2)16-11-13-17(18-3)14-12-16/h10-14H,4-9H2,1-3H3/b15-10+.
What are the key properties of 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene?
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-5-en-5-yl]-4-methoxybenzene is sourced from PubChem (CID 102307360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).