4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene

C11H12O — CID 87177123

IUPAC4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene
SMILESCC1(C)Oc2ccc3cc2CC31
InChIInChI=1S/C11H12O/c1-11(2)9-6-8-5-7(9)3-4-10(8)12-11/h3-5,9H,6H2,1-2H3
InChIKeyTZSZDWSDBDYSBZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.50
Rot. Bonds

About 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene

4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene (PubChem CID 87177123) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene.

Molecular Properties

Compound Name4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene
PubChem CID87177123
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene
SMILESCC1(C)Oc2ccc3cc2CC31
InChIInChI=1S/C11H12O/c1-11(2)9-6-8-5-7(9)3-4-10(8)12-11/h3-5,9H,6H2,1-2H3
InChIKeyTZSZDWSDBDYSBZ-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57346543
sodium;5-[(2,2-dimethyl-3-phenyl-3,4-dihydrochromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;hydride
CID 173387212
4-(3,5-dimethylphenyl)-5,5-dimethyloxolan-2-one
CID 171718961
2,2-dimethyl-3-(oxiran-2-yl)-6-(trifluoromethylsulfanyl)-3,4-dihydrochromene
CID 139832437
6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole
CID 10134625
(8S)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
CID 163016280
ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
CID 145338574
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene
CID 162550958
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
2,2-dimethyl-3-(2,2,3-trimethylbutoxy)-3,4-dihydrochromene-6-carbonitrile
CID 156753987

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene?
The IUPAC name of 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene (CID 87177123) is 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene.
What is the SMILES notation for 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene?
The canonical SMILES for 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene is CC1(C)Oc2ccc3cc2CC31.
What is the InChIKey of 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene?
The InChIKey is TZSZDWSDBDYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-11(2)9-6-8-5-7(9)3-4-10(8)12-11/h3-5,9H,6H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene?
4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene has a molecular weight of 160.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene is sourced from PubChem (CID 87177123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).