8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

C14H20O — CID 59095421

IUPAC8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCC(C)(C)c1ccc2c(c1)C(OC)C2
InChIInChI=1S/C14H20O/c1-5-14(2,3)11-7-6-10-8-13(15-4)12(10)9-11/h6-7,9,13H,5,8H2,1-4H3
InChIKeyVXSFIJCHYIBASV-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.62
Rot. Bonds3

About 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 59095421) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID59095421
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCC(C)(C)c1ccc2c(c1)C(OC)C2
InChIInChI=1S/C14H20O/c1-5-14(2,3)11-7-6-10-8-13(15-4)12(10)9-11/h6-7,9,13H,5,8H2,1-4H3
InChIKeyVXSFIJCHYIBASV-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 59095421) is 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is CCC(C)(C)c1ccc2c(c1)C(OC)C2.
What is the InChIKey of 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is VXSFIJCHYIBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-14(2,3)11-7-6-10-8-13(15-4)12(10)9-11/h6-7,9,13H,5,8H2,1-4H3.
What are the key properties of 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 204.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(2-methylbutan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 59095421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).