1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane

C15H26O — CID 74051960

IUPAC1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1CCC2(C)OC3(C)CCC2C1C3
InChIInChI=1S/C15H26O/c1-10(2)11-5-8-15(4)13-6-7-14(3,16-15)9-12(11)13/h10-13H,5-9H2,1-4H3
InChIKeyGRFWMFZRMJAPKB-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane

1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane (PubChem CID 74051960) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
PubChem CID74051960
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1CCC2(C)OC3(C)CCC2C1C3
InChIInChI=1S/C15H26O/c1-10(2)11-5-8-15(4)13-6-7-14(3,16-15)9-12(11)13/h10-13H,5-9H2,1-4H3
InChIKeyGRFWMFZRMJAPKB-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane
CID 135011219
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1S,3S,4S,7R,8R)-1,3,4,6,6-pentamethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 91749850
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 85446360
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 140846235
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
CID 162810997

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane (CID 74051960) is 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane is CC(C)C1CCC2(C)OC3(C)CCC2C1C3.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane?
The InChIKey is GRFWMFZRMJAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)11-5-8-15(4)13-6-7-14(3,16-15)9-12(11)13/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane?
1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane has a molecular weight of 222.37 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 74051960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).