2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C11H14O — CID 18790901

IUPAC2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCCCc1cc2cc(C)c1o2
InChIInChI=1S/C11H14O/c1-3-4-5-9-7-10-6-8(2)11(9)12-10/h6-7H,3-5H2,1-2H3
InChIKeyPRSHCUDLDDSWPE-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.52
Rot. Bonds3

About 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 18790901) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID18790901
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCCCc1cc2cc(C)c1o2
InChIInChI=1S/C11H14O/c1-3-4-5-9-7-10-6-8(2)11(9)12-10/h6-7H,3-5H2,1-2H3
InChIKeyPRSHCUDLDDSWPE-UHFFFAOYSA-N
XLogP3.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368
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CID 130538000
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
3-butyl-8-methylchromen-2-one
CID 162411292
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
2,3,8,9-tetrabutyltetracene
CID 102053257
1,2,3,4-tetrabutylbenzene
CID 11220391
4,7-dibutyl-2-methyl-1,3,2-benzodioxazole
CID 142853078
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
2,5-dimethyl-3-pentylfuran
CID 15522203
ethane;3-methyl-4-pentylfuran
CID 143814936

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 18790901) is 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CCCCc1cc2cc(C)c1o2.
What is the InChIKey of 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is PRSHCUDLDDSWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-5-9-7-10-6-8(2)11(9)12-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 162.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 18790901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).