6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene

C13H18O — CID 10261935

IUPAC6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene
SMILESCC1(C)C2COCC23C=CC=CC13C
InChIInChI=1S/C13H18O/c1-11(2)10-8-14-9-13(10)7-5-4-6-12(11,13)3/h4-7,10H,8-9H2,1-3H3
InChIKeyIPSMMZTZYRNUOE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.79
Rot. Bonds

About 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene

6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene (PubChem CID 10261935) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene.

Molecular Properties

Compound Name6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene
PubChem CID10261935
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene
SMILESCC1(C)C2COCC23C=CC=CC13C
InChIInChI=1S/C13H18O/c1-11(2)10-8-14-9-13(10)7-5-4-6-12(11,13)3/h4-7,10H,8-9H2,1-3H3
InChIKeyIPSMMZTZYRNUOE-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
CID 123396645
4-prop-1-en-2-yl-2-oxaspiro[4.5]deca-6,8-diene
CID 10374961
4,4-dimethyloxolane-3-thiol
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9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene
CID 139246436
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274
4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine
CID 131140835
1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one
CID 130704815
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 71445982
10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
CID 15474960

Frequently Asked Questions

What is the IUPAC name of 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene?
The IUPAC name of 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene (CID 10261935) is 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene.
What is the SMILES notation for 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene?
The canonical SMILES for 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene is CC1(C)C2COCC23C=CC=CC13C.
What is the InChIKey of 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene?
The InChIKey is IPSMMZTZYRNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11(2)10-8-14-9-13(10)7-5-4-6-12(11,13)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene?
6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene has a molecular weight of 190.29 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene is sourced from PubChem (CID 10261935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).