1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene

C16H24O2 — CID 131994478

IUPAC1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene
SMILESC=C(C)OCCC(C)(C)OCc1ccc(C)cc1
InChIInChI=1S/C16H24O2/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15/h6-9H,1,10-12H2,2-5H3
InChIKeyWOZTWIMIEPGPGK-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.23
Rot. Bonds7

About 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene

1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene (PubChem CID 131994478) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene
PubChem CID131994478
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene
SMILESC=C(C)OCCC(C)(C)OCc1ccc(C)cc1
InChIInChI=1S/C16H24O2/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15/h6-9H,1,10-12H2,2-5H3
InChIKeyWOZTWIMIEPGPGK-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
CID 144864850
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene
CID 10087514
1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
CID 10702431
1-(3-methylbuta-1,3-dien-2-yl)-4-(2-methylbutan-2-yloxymethyl)benzene
CID 89026361
(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine
CID 88538917
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene (CID 131994478) is 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene is C=C(C)OCCC(C)(C)OCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene?
The InChIKey is WOZTWIMIEPGPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15/h6-9H,1,10-12H2,2-5H3.
What are the key properties of 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene?
1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 131994478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).