1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene

C17H26O2 — CID 101129319

IUPAC1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
SMILESCCCCCC/C=C\Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H26O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-
InChIKeyUQURWFVFQMFLBV-KTKRTIGZSA-N
MW262.39 g/mol
LogP4.77
Rot. Bonds9

About 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene

1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene (PubChem CID 101129319) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
PubChem CID101129319
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
SMILESCCCCCC/C=C\Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H26O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-
InChIKeyUQURWFVFQMFLBV-KTKRTIGZSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene 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-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
1-butyl-3,5-dimethoxybenzene
CID 524875
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
[(E)-oct-2-enyl]benzene
CID 13383320
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene (CID 101129319) is 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene is CCCCCC/C=C\Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene?
The InChIKey is UQURWFVFQMFLBV-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-.
What are the key properties of 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene?
1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene has a molecular weight of 262.39 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene is sourced from PubChem (CID 101129319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).