1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene

C14H20O — CID 22186396

IUPAC1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESC=Cc1cccc(C(C)C)c1OC(C)C
InChIInChI=1S/C14H20O/c1-6-12-8-7-9-13(10(2)3)14(12)15-11(4)5/h6-11H,1H2,2-5H3
InChIKeyDVYBODCHSHNNFL-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.24
Rot. Bonds4

About 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene

1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene (PubChem CID 22186396) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
PubChem CID22186396
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESC=Cc1cccc(C(C)C)c1OC(C)C
InChIInChI=1S/C14H20O/c1-6-12-8-7-9-13(10(2)3)14(12)15-11(4)5/h6-11H,1H2,2-5H3
InChIKeyDVYBODCHSHNNFL-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene (CID 22186396) is 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene is C=Cc1cccc(C(C)C)c1OC(C)C.
What is the InChIKey of 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The InChIKey is DVYBODCHSHNNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-12-8-7-9-13(10(2)3)14(12)15-11(4)5/h6-11H,1H2,2-5H3.
What are the key properties of 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene?
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene has a molecular weight of 204.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene is sourced from PubChem (CID 22186396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).