(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene

C13H18O — CID 130324549

IUPAC(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1c(C(C)C)ccc2c1[C@H](C)C2
InChIInChI=1S/C13H18O/c1-8(2)11-6-5-10-7-9(3)12(10)13(11)14-4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1
InChIKeyHUMUJHLQUDYZCL-SECBINFHSA-N
MW190.29 g/mol
LogP3.48
Rot. Bonds2

About (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene

(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 130324549) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID130324549
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1c(C(C)C)ccc2c1[C@H](C)C2
InChIInChI=1S/C13H18O/c1-8(2)11-6-5-10-7-9(3)12(10)13(11)14-4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1
InChIKeyHUMUJHLQUDYZCL-SECBINFHSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 130324549) is (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene is COc1c(C(C)C)ccc2c1[C@H](C)C2.
What is the InChIKey of (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is HUMUJHLQUDYZCL-SECBINFHSA-N. The full InChI is InChI=1S/C13H18O/c1-8(2)11-6-5-10-7-9(3)12(10)13(11)14-4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene?
(8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 190.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-methoxy-8-methyl-3-propan-2-ylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 130324549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).