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

C9H16 — CID 143253423

IUPAC(3R)-2,3-dimethylbicyclo[3.1.1]heptane
SMILESCC1C2CC(C2)C[C@H]1C
InChIInChI=1S/C9H16/c1-6-3-8-4-9(5-8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyZBQPWFZGHIZCRD-LJSVPSOQSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds

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

(3R)-2,3-dimethylbicyclo[3.1.1]heptane (PubChem CID 143253423) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3R)-2,3-dimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(3R)-2,3-dimethylbicyclo[3.1.1]heptane
PubChem CID143253423
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3R)-2,3-dimethylbicyclo[3.1.1]heptane
SMILESCC1C2CC(C2)C[C@H]1C
InChIInChI=1S/C9H16/c1-6-3-8-4-9(5-8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyZBQPWFZGHIZCRD-LJSVPSOQSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
CID 144841146
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
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
methoxyethane;2-methyladamantane
CID 174817324
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
4-methyladamantan-2-ol
CID 590471

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylbicyclo[3.1.1]heptane?
The IUPAC name of (3R)-2,3-dimethylbicyclo[3.1.1]heptane (CID 143253423) is (3R)-2,3-dimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for (3R)-2,3-dimethylbicyclo[3.1.1]heptane?
The canonical SMILES for (3R)-2,3-dimethylbicyclo[3.1.1]heptane is CC1C2CC(C2)C[C@H]1C.
What is the InChIKey of (3R)-2,3-dimethylbicyclo[3.1.1]heptane?
The InChIKey is ZBQPWFZGHIZCRD-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H16/c1-6-3-8-4-9(5-8)7(6)2/h6-9H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (3R)-2,3-dimethylbicyclo[3.1.1]heptane?
(3R)-2,3-dimethylbicyclo[3.1.1]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 143253423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).