1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene

C18H26O — CID 101489996

IUPAC1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene
SMILESC=C(CCCC)C/C(C)=C\Cc1ccc(OC)cc1
InChIInChI=1S/C18H26O/c1-5-6-7-15(2)14-16(3)8-9-17-10-12-18(19-4)13-11-17/h8,10-13H,2,5-7,9,14H2,1,3-4H3/b16-8-
InChIKeyXICNPICOXJVQQU-PXNMLYILSA-N
MW258.40 g/mol
LogP5.32
Rot. Bonds8

About 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene

1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene (PubChem CID 101489996) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene
PubChem CID101489996
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene
SMILESC=C(CCCC)C/C(C)=C\Cc1ccc(OC)cc1
InChIInChI=1S/C18H26O/c1-5-6-7-15(2)14-16(3)8-9-17-10-12-18(19-4)13-11-17/h8,10-13H,2,5-7,9,14H2,1,3-4H3/b16-8-
InChIKeyXICNPICOXJVQQU-PXNMLYILSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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

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[(E)-3-methyloct-2-enyl]benzene
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CID 172548284

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene (CID 101489996) is 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene is C=C(CCCC)C/C(C)=C\Cc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene?
The InChIKey is XICNPICOXJVQQU-PXNMLYILSA-N. The full InChI is InChI=1S/C18H26O/c1-5-6-7-15(2)14-16(3)8-9-17-10-12-18(19-4)13-11-17/h8,10-13H,2,5-7,9,14H2,1,3-4H3/b16-8-.
What are the key properties of 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene?
1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene has a molecular weight of 258.40 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene is sourced from PubChem (CID 101489996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).