methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene

C17H28O2 — CID 158906907

IUPACmethane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene
SMILESC.C.C=CC=CCOCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20O2.2CH4/c1-4-5-6-11-16-12-14(3)17-15-9-7-13(2)8-10-15;;/h4-10,14H,1,11-12H2,2-3H3;2*1H4
InChIKeyJGDRSIHWVFSFPI-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.79
Rot. Bonds7

About methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene

methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene (PubChem CID 158906907) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene.

Molecular Properties

Compound Namemethane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene
PubChem CID158906907
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namemethane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene
SMILESC.C.C=CC=CCOCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20O2.2CH4/c1-4-5-6-11-16-12-14(3)17-15-9-7-13(2)8-10-15;;/h4-10,14H,1,11-12H2,2-3H3;2*1H4
InChIKeyJGDRSIHWVFSFPI-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
CID 161371007
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
CID 169153466
1-(1-iodoprop-2-enoxy)-4-methylbenzene
CID 134463501
1-ethenoxypropan-2-yloxybenzene
CID 19808106
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
4-(4-methylphenoxy)pentanoic acid
CID 62214144
2,3-bis(4-methylphenoxy)propan-1-ol
CID 3031029

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene?
The IUPAC name of methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene (CID 158906907) is methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene.
What is the SMILES notation for methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene?
The canonical SMILES for methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene is C.C.C=CC=CCOCC(C)Oc1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene?
The InChIKey is JGDRSIHWVFSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.2CH4/c1-4-5-6-11-16-12-14(3)17-15-9-7-13(2)8-10-15;;/h4-10,14H,1,11-12H2,2-3H3;2*1H4.
What are the key properties of methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene?
methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene has a molecular weight of 264.41 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-(1-penta-2,4-dienoxypropan-2-yloxy)benzene is sourced from PubChem (CID 158906907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).