1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene

C17H26O2 — CID 3033132

IUPAC1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene
SMILESCCCCC/C(C)=C(/C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H26O2/c1-6-7-8-9-13(2)14(3)15-10-16(18-4)12-17(11-15)19-5/h10-12H,6-9H2,1-5H3/b14-13-
InChIKeySOMYANHMIYLVPD-YPKPFQOOSA-N
MW262.39 g/mol
LogP5.08
Rot. Bonds7

About 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene

1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene (PubChem CID 3033132) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene
PubChem CID3033132
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene
SMILESCCCCC/C(C)=C(/C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H26O2/c1-6-7-8-9-13(2)14(3)15-10-16(18-4)12-17(11-15)19-5/h10-12H,6-9H2,1-5H3/b14-13-
InChIKeySOMYANHMIYLVPD-YPKPFQOOSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene (CID 3033132) is 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene is CCCCC/C(C)=C(/C)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene?
The InChIKey is SOMYANHMIYLVPD-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-7-8-9-13(2)14(3)15-10-16(18-4)12-17(11-15)19-5/h10-12H,6-9H2,1-5H3/b14-13-.
What are the key properties of 1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene?
1,3-dimethoxy-5-[(Z)-3-methyloct-2-en-2-yl]benzene has a molecular weight of 262.39 g/mol, XLogP of 5.08, 7 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)-3-methyloct-2-en-2-yl]benzene is sourced from PubChem (CID 3033132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).