[(Z)-5,5-dimethoxypent-3-enyl]benzene

C13H18O2 — CID 102219154

IUPAC[(Z)-5,5-dimethoxypent-3-enyl]benzene
SMILESCOC(/C=C\CCc1ccccc1)OC
InChIInChI=1S/C13H18O2/c1-14-13(15-2)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,13H,6,10H2,1-2H3/b11-7-
InChIKeyHTQUPQUQXICBKN-XFFZJAGNSA-N
MW206.28 g/mol
LogP2.79
Rot. Bonds6

About [(Z)-5,5-dimethoxypent-3-enyl]benzene

[(Z)-5,5-dimethoxypent-3-enyl]benzene (PubChem CID 102219154) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [(Z)-5,5-dimethoxypent-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-5,5-dimethoxypent-3-enyl]benzene
PubChem CID102219154
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[(Z)-5,5-dimethoxypent-3-enyl]benzene
SMILESCOC(/C=C\CCc1ccccc1)OC
InChIInChI=1S/C13H18O2/c1-14-13(15-2)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,13H,6,10H2,1-2H3/b11-7-
InChIKeyHTQUPQUQXICBKN-XFFZJAGNSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5,5-dimethoxypent-3-enyl]benzene?
The IUPAC name of [(Z)-5,5-dimethoxypent-3-enyl]benzene (CID 102219154) is [(Z)-5,5-dimethoxypent-3-enyl]benzene.
What is the SMILES notation for [(Z)-5,5-dimethoxypent-3-enyl]benzene?
The canonical SMILES for [(Z)-5,5-dimethoxypent-3-enyl]benzene is COC(/C=C\CCc1ccccc1)OC.
What is the InChIKey of [(Z)-5,5-dimethoxypent-3-enyl]benzene?
The InChIKey is HTQUPQUQXICBKN-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H18O2/c1-14-13(15-2)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11,13H,6,10H2,1-2H3/b11-7-.
What are the key properties of [(Z)-5,5-dimethoxypent-3-enyl]benzene?
[(Z)-5,5-dimethoxypent-3-enyl]benzene has a molecular weight of 206.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5,5-dimethoxypent-3-enyl]benzene is sourced from PubChem (CID 102219154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).