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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Related Compounds

methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene
CID 158906907
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
N-methyl-4-(4-methylphenoxy)but-2-en-1-amine
CID 171158072
1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
CID 142045717
butane-1,4-diol;1-methyl-4-(3-prop-2-enoxyprop-2-enoxy)benzene
CID 174744422
1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene
CID 58282064
1-methyl-4-(3-prop-2-enoxyprop-2-enoxy)benzene;propane-1,2-diol
CID 174744411
ethyl (E)-4-(4-methylphenoxy)but-2-enoate
CID 80545659
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methyl-4-tridec-12-enoxybenzene
CID 139447523

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).