(1-methoxy-2-methylprop-1-enyl)benzene

C11H14O — CID 595691

IUPAC(1-methoxy-2-methylprop-1-enyl)benzene
SMILESCOC(=C(C)C)c1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)11(12-3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyNDPZDUXDJBTEHU-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.08
Rot. Bonds2

About (1-methoxy-2-methylprop-1-enyl)benzene

(1-methoxy-2-methylprop-1-enyl)benzene (PubChem CID 595691) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1-methoxy-2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name(1-methoxy-2-methylprop-1-enyl)benzene
PubChem CID595691
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1-methoxy-2-methylprop-1-enyl)benzene
SMILESCOC(=C(C)C)c1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)11(12-3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyNDPZDUXDJBTEHU-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-methylprop-1-enyl)benzene?
The IUPAC name of (1-methoxy-2-methylprop-1-enyl)benzene (CID 595691) is (1-methoxy-2-methylprop-1-enyl)benzene.
What is the SMILES notation for (1-methoxy-2-methylprop-1-enyl)benzene?
The canonical SMILES for (1-methoxy-2-methylprop-1-enyl)benzene is COC(=C(C)C)c1ccccc1.
What is the InChIKey of (1-methoxy-2-methylprop-1-enyl)benzene?
The InChIKey is NDPZDUXDJBTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9(2)11(12-3)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of (1-methoxy-2-methylprop-1-enyl)benzene?
(1-methoxy-2-methylprop-1-enyl)benzene has a molecular weight of 162.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methylprop-1-enyl)benzene is sourced from PubChem (CID 595691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).