1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene

C16H24O2 — CID 167065353

IUPAC1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene
SMILESC=CC(C)(C)CC(C)(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-7-15(2,3)12-16(4,5)18-14-10-8-13(17-6)9-11-14/h7-11H,1,12H2,2-6H3
InChIKeyQIVRUGGWHMZGDF-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.45
Rot. Bonds6

About 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene

1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene (PubChem CID 167065353) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene
PubChem CID167065353
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene
SMILESC=CC(C)(C)CC(C)(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-7-15(2,3)12-16(4,5)18-14-10-8-13(17-6)9-11-14/h7-11H,1,12H2,2-6H3
InChIKeyQIVRUGGWHMZGDF-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylpent-4-en-2-yloxy)benzene
CID 123423691
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 122380184
[4-[2,3-difluoro-4-(4-methoxyphenyl)phenoxy]-2,4-dimethylpentan-2-yl] prop-2-enoate
CID 163439619
1-(4-iodo-2,4-dimethylpentan-2-yl)oxy-4-methylbenzene
CID 126490434
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene?
The IUPAC name of 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene (CID 167065353) is 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene.
What is the SMILES notation for 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene?
The canonical SMILES for 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene is C=CC(C)(C)CC(C)(C)Oc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene?
The InChIKey is QIVRUGGWHMZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-15(2,3)12-16(4,5)18-14-10-8-13(17-6)9-11-14/h7-11H,1,12H2,2-6H3.
What are the key properties of 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene?
1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,4,4-trimethylhex-5-en-2-yloxy)benzene is sourced from PubChem (CID 167065353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).