6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane

C11H18O — CID 158716874

IUPAC6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESCC(C)CC1CC2CC1C1OC21
InChIInChI=1S/C11H18O/c1-6(2)3-7-4-8-5-9(7)11-10(8)12-11/h6-11H,3-5H2,1-2H3
InChIKeyBCJATNXECTYNTP-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.46
Rot. Bonds2

About 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane

6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 158716874) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID158716874
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
SMILESCC(C)CC1CC2CC1C1OC21
InChIInChI=1S/C11H18O/c1-6(2)3-7-4-8-5-9(7)11-10(8)12-11/h6-11H,3-5H2,1-2H3
InChIKeyBCJATNXECTYNTP-UHFFFAOYSA-N
XLogP2.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653
[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 12574062
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
CID 45098405
[2-(2-methylpropyl)cyclopropyl]cyclopentane
CID 19768855
5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane
CID 167404772
2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 91321156
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 172516375
(1S,6S)-2-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 10630730
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane (CID 158716874) is 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane is CC(C)CC1CC2CC1C1OC21.
What is the InChIKey of 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is BCJATNXECTYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6(2)3-7-4-8-5-9(7)11-10(8)12-11/h6-11H,3-5H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane?
6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 166.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 158716874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).