5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane

C10H16O2 — CID 3936995

IUPAC5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
SMILESCC1(C)OC2(C)CCC1C1OC12
InChIInChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,12-9)8-7(6)11-8/h6-8H,4-5H2,1-3H3
InChIKeyDNUYTADVIHKXTF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.73
Rot. Bonds

About 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane

5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane (PubChem CID 3936995) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane.

Molecular Properties

Compound Name5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
PubChem CID3936995
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
SMILESCC1(C)OC2(C)CCC1C1OC12
InChIInChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,12-9)8-7(6)11-8/h6-8H,4-5H2,1-3H3
InChIKeyDNUYTADVIHKXTF-UHFFFAOYSA-N
XLogP1.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541609
(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541620
(1R,2R,7S,9S)-7,9-dimethyl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 10631175
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane
CID 88891756
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012
phenyl-[(1R,2R,4S,5S)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl]methanone
CID 98540800
1-methyl-3-oxatricyclo[3.2.1.02,4]octane
CID 141043159

Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane?
The IUPAC name of 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane (CID 3936995) is 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane.
What is the SMILES notation for 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane?
The canonical SMILES for 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane is CC1(C)OC2(C)CCC1C1OC12.
What is the InChIKey of 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane?
The InChIKey is DNUYTADVIHKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,12-9)8-7(6)11-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane?
5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane has a molecular weight of 168.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane is sourced from PubChem (CID 3936995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).