3-methylbut-3-en-2-yloxybenzene

C11H14O — CID 564925

IUPAC3-methylbut-3-en-2-yloxybenzene
SMILESC=C(C)C(C)Oc1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3
InChIKeyRXBWADBQQPTEMI-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.03
Rot. Bonds3

About 3-methylbut-3-en-2-yloxybenzene

3-methylbut-3-en-2-yloxybenzene (PubChem CID 564925) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-methylbut-3-en-2-yloxybenzene.

Molecular Properties

Compound Name3-methylbut-3-en-2-yloxybenzene
PubChem CID564925
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-methylbut-3-en-2-yloxybenzene
SMILESC=C(C)C(C)Oc1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3
InChIKeyRXBWADBQQPTEMI-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-3-phenoxybutanoic acid
CID 21464511
3-ethenoxybut-3-en-2-yloxybenzene
CID 58667302
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
1-phenoxyethanol
CID 66611531
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
1-phenoxyethanol;trihydrate
CID 175915128
N-methyl-2-phenoxypropanamide
CID 4626974
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
1-phenoxypropane-1,2-diol
CID 22140567

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-en-2-yloxybenzene?
The IUPAC name of 3-methylbut-3-en-2-yloxybenzene (CID 564925) is 3-methylbut-3-en-2-yloxybenzene.
What is the SMILES notation for 3-methylbut-3-en-2-yloxybenzene?
The canonical SMILES for 3-methylbut-3-en-2-yloxybenzene is C=C(C)C(C)Oc1ccccc1.
What is the InChIKey of 3-methylbut-3-en-2-yloxybenzene?
The InChIKey is RXBWADBQQPTEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3.
What are the key properties of 3-methylbut-3-en-2-yloxybenzene?
3-methylbut-3-en-2-yloxybenzene has a molecular weight of 162.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-en-2-yloxybenzene is sourced from PubChem (CID 564925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).