9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane

C12H16O — CID 11286775

IUPAC9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane
SMILESC=C1CC2CC3CCCC3(O2)C1=C
InChIInChI=1S/C12H16O/c1-8-6-11-7-10-4-3-5-12(10,13-11)9(8)2/h10-11H,1-7H2
InChIKeyGSYINUCXQORDSV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.83
Rot. Bonds

About 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane

9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane (PubChem CID 11286775) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane.

Molecular Properties

Compound Name9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane
PubChem CID11286775
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane
SMILESC=C1CC2CC3CCCC3(O2)C1=C
InChIInChI=1S/C12H16O/c1-8-6-11-7-10-4-3-5-12(10,13-11)9(8)2/h10-11H,1-7H2
InChIKeyGSYINUCXQORDSV-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 85669481
1,5-Epoxy-salvial(4)14-ene
CID 91750031
Mintoxide
CID 91750040
endo-1,5-Epoxysalvial-4(14)-ene
CID 91747174
exo-1,5-Epoxysalvial-4(14)-ene
CID 91747176
(2R,5S,6S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane
CID 101633393
(1S,2S,5R,7S)-2-methyl-8-methylidene-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecane
CID 101910437
(1R,2S,5R,7R)-2-methyl-8-methylidene-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecane
CID 101910439
3,6,9-Trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
CID 66803573
(3aS,6aR,9aR,9bS)-2,3,6,9-tetramethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan
CID 153419127
(1S,8R)-6-methylidene-11-oxatricyclo[6.2.1.01,5]undecane
CID 154691674
(1R,5S,7R)-7-methyl-9-methylidene-11-oxatricyclo[5.3.1.01,5]undecane
CID 13926874

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane?
The IUPAC name of 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane (CID 11286775) is 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane.
What is the SMILES notation for 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane?
The canonical SMILES for 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane is C=C1CC2CC3CCCC3(O2)C1=C.
What is the InChIKey of 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane?
The InChIKey is GSYINUCXQORDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-6-11-7-10-4-3-5-12(10,13-11)9(8)2/h10-11H,1-7H2.
What are the key properties of 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane?
9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane has a molecular weight of 176.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylidene-11-oxatricyclo[5.3.1.01,5]undecane is sourced from PubChem (CID 11286775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).