methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene

C14H22O — CID 161371007

IUPACmethane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
SMILESC.C.C=C/C=C/COc1ccc(C)cc1
InChIInChI=1S/C12H14O.2CH4/c1-3-4-5-10-13-12-8-6-11(2)7-9-12;;/h3-9H,1,10H2,2H3;2*1H4/b5-4+;;
InChIKeyVQLMWASXVMEYON-SFKRKKMESA-N
MW206.33 g/mol
LogP4.39
Rot. Bonds4

About methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene

methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene (PubChem CID 161371007) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene.

Molecular Properties

Compound Namemethane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
PubChem CID161371007
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namemethane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
SMILESC.C.C=C/C=C/COc1ccc(C)cc1
InChIInChI=1S/C12H14O.2CH4/c1-3-4-5-10-13-12-8-6-11(2)7-9-12;;/h3-9H,1,10H2,2H3;2*1H4/b5-4+;;
InChIKeyVQLMWASXVMEYON-SFKRKKMESA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.39
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 methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene?
The IUPAC name of methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene (CID 161371007) is methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene.
What is the SMILES notation for methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene?
The canonical SMILES for methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene is C.C.C=C/C=C/COc1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene?
The InChIKey is VQLMWASXVMEYON-SFKRKKMESA-N. The full InChI is InChI=1S/C12H14O.2CH4/c1-3-4-5-10-13-12-8-6-11(2)7-9-12;;/h3-9H,1,10H2,2H3;2*1H4/b5-4+;;.
What are the key properties of methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene?
methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene has a molecular weight of 206.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene is sourced from PubChem (CID 161371007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).