1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene

C16H22O — CID 143972353

IUPAC1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene
SMILESC=CCC(C)(C)c1c(C=C)cccc1OCC
InChIInChI=1S/C16H22O/c1-6-12-16(4,5)15-13(7-2)10-9-11-14(15)17-8-3/h6-7,9-11H,1-2,8,12H2,3-5H3
InChIKeyRMHMZBIRLSUKCN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.58
Rot. Bonds6

About 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene

1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene (PubChem CID 143972353) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene
PubChem CID143972353
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene
SMILESC=CCC(C)(C)c1c(C=C)cccc1OCC
InChIInChI=1S/C16H22O/c1-6-12-16(4,5)15-13(7-2)10-9-11-14(15)17-8-3/h6-7,9-11H,1-2,8,12H2,3-5H3
InChIKeyRMHMZBIRLSUKCN-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene?
The IUPAC name of 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene (CID 143972353) is 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene.
What is the SMILES notation for 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene?
The canonical SMILES for 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene is C=CCC(C)(C)c1c(C=C)cccc1OCC.
What is the InChIKey of 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene?
The InChIKey is RMHMZBIRLSUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-6-12-16(4,5)15-13(7-2)10-9-11-14(15)17-8-3/h6-7,9-11H,1-2,8,12H2,3-5H3.
What are the key properties of 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene?
1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene has a molecular weight of 230.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene is sourced from PubChem (CID 143972353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).