1-ethenyl-3-hexan-3-yloxybenzene

C14H20O — CID 22475808

IUPAC1-ethenyl-3-hexan-3-yloxybenzene
SMILESC=Cc1cccc(OC(CC)CCC)c1
InChIInChI=1S/C14H20O/c1-4-8-13(6-3)15-14-10-7-9-12(5-2)11-14/h5,7,9-11,13H,2,4,6,8H2,1,3H3
InChIKeyGDWHIDXYFCXQQB-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.29
Rot. Bonds6

About 1-ethenyl-3-hexan-3-yloxybenzene

1-ethenyl-3-hexan-3-yloxybenzene (PubChem CID 22475808) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethenyl-3-hexan-3-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-3-hexan-3-yloxybenzene
PubChem CID22475808
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-ethenyl-3-hexan-3-yloxybenzene
SMILESC=Cc1cccc(OC(CC)CCC)c1
InChIInChI=1S/C14H20O/c1-4-8-13(6-3)15-14-10-7-9-12(5-2)11-14/h5,7,9-11,13H,2,4,6,8H2,1,3H3
InChIKeyGDWHIDXYFCXQQB-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-hexan-3-yloxybenzene?
The IUPAC name of 1-ethenyl-3-hexan-3-yloxybenzene (CID 22475808) is 1-ethenyl-3-hexan-3-yloxybenzene.
What is the SMILES notation for 1-ethenyl-3-hexan-3-yloxybenzene?
The canonical SMILES for 1-ethenyl-3-hexan-3-yloxybenzene is C=Cc1cccc(OC(CC)CCC)c1.
What is the InChIKey of 1-ethenyl-3-hexan-3-yloxybenzene?
The InChIKey is GDWHIDXYFCXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-8-13(6-3)15-14-10-7-9-12(5-2)11-14/h5,7,9-11,13H,2,4,6,8H2,1,3H3.
What are the key properties of 1-ethenyl-3-hexan-3-yloxybenzene?
1-ethenyl-3-hexan-3-yloxybenzene has a molecular weight of 204.31 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-hexan-3-yloxybenzene is sourced from PubChem (CID 22475808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).