4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene

C15H20O — CID 143699753

IUPAC4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene
SMILESC=C(/C=C\c1cc(OCC)ccc1C)CC
InChIInChI=1S/C15H20O/c1-5-12(3)7-9-14-11-15(16-6-2)10-8-13(14)4/h7-11H,3,5-6H2,1-2,4H3/b9-7-
InChIKeySMDANNPXSMKBKU-CLFYSBASSA-N
MW216.32 g/mol
LogP4.37
Rot. Bonds5

About 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene

4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene (PubChem CID 143699753) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene.

Molecular Properties

Compound Name4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene
PubChem CID143699753
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene
SMILESC=C(/C=C\c1cc(OCC)ccc1C)CC
InChIInChI=1S/C15H20O/c1-5-12(3)7-9-14-11-15(16-6-2)10-8-13(14)4/h7-11H,3,5-6H2,1-2,4H3/b9-7-
InChIKeySMDANNPXSMKBKU-CLFYSBASSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene?
The IUPAC name of 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene (CID 143699753) is 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene.
What is the SMILES notation for 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene?
The canonical SMILES for 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene is C=C(/C=C\c1cc(OCC)ccc1C)CC.
What is the InChIKey of 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene?
The InChIKey is SMDANNPXSMKBKU-CLFYSBASSA-N. The full InChI is InChI=1S/C15H20O/c1-5-12(3)7-9-14-11-15(16-6-2)10-8-13(14)4/h7-11H,3,5-6H2,1-2,4H3/b9-7-.
What are the key properties of 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene?
4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-2-[(Z)-3-methylidenepent-1-enyl]benzene is sourced from PubChem (CID 143699753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).