3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane

C16H20O — CID 154139541

IUPAC3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane
SMILESC=C(C)c1ccc(C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C16H20O/c1-11(2)12-3-5-13(6-4-12)14-9-15-7-8-16(10-14)17-15/h3-6,14-16H,1,7-10H2,2H3
InChIKeyIWZAGMRHTZHNGM-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.14
Rot. Bonds2

About 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane

3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane (PubChem CID 154139541) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane
PubChem CID154139541
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane
SMILESC=C(C)c1ccc(C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C16H20O/c1-11(2)12-3-5-13(6-4-12)14-9-15-7-8-16(10-14)17-15/h3-6,14-16H,1,7-10H2,2H3
InChIKeyIWZAGMRHTZHNGM-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane (CID 154139541) is 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane is C=C(C)c1ccc(C2CC3CCC(C2)O3)cc1.
What is the InChIKey of 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane?
The InChIKey is IWZAGMRHTZHNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-11(2)12-3-5-13(6-4-12)14-9-15-7-8-16(10-14)17-15/h3-6,14-16H,1,7-10H2,2H3.
What are the key properties of 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane?
3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane has a molecular weight of 228.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-1-en-2-ylphenyl)-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 154139541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).