(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane

C11H22 — CID 144841146

IUPAC(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
SMILESCC.C[C@H]1CC2CC(C2)[C@@H]1C
InChIInChI=1S/C9H16.C2H6/c1-6-3-8-4-9(5-8)7(6)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3/t6-,7+,8?,9?;/m0./s1
InChIKeyDLRBEUQCFAGQDC-KSUSIZLGSA-N
MW154.30 g/mol
LogP3.71
Rot. Bonds

About (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane

(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane (PubChem CID 144841146) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
PubChem CID144841146
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
SMILESCC.C[C@H]1CC2CC(C2)[C@@H]1C
InChIInChI=1S/C9H16.C2H6/c1-6-3-8-4-9(5-8)7(6)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3/t6-,7+,8?,9?;/m0./s1
InChIKeyDLRBEUQCFAGQDC-KSUSIZLGSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
7-chloro-2,3-dimethylbicyclo[3.3.1]nonane
CID 130192142
ethane;2-methyladamantane
CID 90765849
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
2-iodo-3-methylbicyclo[3.1.1]heptane
CID 89418327
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
adamantane;ethane
CID 90892828
methoxyethane;2-methyladamantane
CID 174817324
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane?
The IUPAC name of (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane (CID 144841146) is (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane.
What is the SMILES notation for (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane?
The canonical SMILES for (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane is CC.C[C@H]1CC2CC(C2)[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane?
The InChIKey is DLRBEUQCFAGQDC-KSUSIZLGSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-6-3-8-4-9(5-8)7(6)2;1-2/h6-9H,3-5H2,1-2H3;1-2H3/t6-,7+,8?,9?;/m0./s1.
What are the key properties of (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane?
(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane has a molecular weight of 154.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane is sourced from PubChem (CID 144841146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).