(3R)-3-methylbicyclo[4.3.3]dodecane

C13H24 — CID 140778138

IUPAC(3R)-3-methylbicyclo[4.3.3]dodecane
SMILESC[C@@H]1CCC2CCCC(CCC2)C1
InChIInChI=1S/C13H24/c1-11-8-9-12-4-2-6-13(10-11)7-3-5-12/h11-13H,2-10H2,1H3/t11-,12?,13?/m1/s1
InChIKeyJEFHCWYWVSMFNK-PNESKVBLSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds

About (3R)-3-methylbicyclo[4.3.3]dodecane

(3R)-3-methylbicyclo[4.3.3]dodecane (PubChem CID 140778138) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3R)-3-methylbicyclo[4.3.3]dodecane.

Molecular Properties

Compound Name(3R)-3-methylbicyclo[4.3.3]dodecane
PubChem CID140778138
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3R)-3-methylbicyclo[4.3.3]dodecane
SMILESC[C@@H]1CCC2CCCC(CCC2)C1
InChIInChI=1S/C13H24/c1-11-8-9-12-4-2-6-13(10-11)7-3-5-12/h11-13H,2-10H2,1H3/t11-,12?,13?/m1/s1
InChIKeyJEFHCWYWVSMFNK-PNESKVBLSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane
CID 162259179
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bis(bicyclo[4.2.1]nonane);bicyclo[2.2.2]octane;bicyclo[3.2.1]octane
CID 160674450
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.3]dodecane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[3.3.3]undecane;bis(bicyclo[4.3.2]undecane)
CID 158680471
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
CID 158767319
(1R)-1,3-dimethylcyclohexane
CID 12594306
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane;cubane;ethane;methane
CID 158575482
CID 175388606
CID 175388606
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
bicyclo[4.3.1]decane
CID 12592588

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylbicyclo[4.3.3]dodecane?
The IUPAC name of (3R)-3-methylbicyclo[4.3.3]dodecane (CID 140778138) is (3R)-3-methylbicyclo[4.3.3]dodecane.
What is the SMILES notation for (3R)-3-methylbicyclo[4.3.3]dodecane?
The canonical SMILES for (3R)-3-methylbicyclo[4.3.3]dodecane is C[C@@H]1CCC2CCCC(CCC2)C1.
What is the InChIKey of (3R)-3-methylbicyclo[4.3.3]dodecane?
The InChIKey is JEFHCWYWVSMFNK-PNESKVBLSA-N. The full InChI is InChI=1S/C13H24/c1-11-8-9-12-4-2-6-13(10-11)7-3-5-12/h11-13H,2-10H2,1H3/t11-,12?,13?/m1/s1.
What are the key properties of (3R)-3-methylbicyclo[4.3.3]dodecane?
(3R)-3-methylbicyclo[4.3.3]dodecane has a molecular weight of 180.33 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylbicyclo[4.3.3]dodecane is sourced from PubChem (CID 140778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).