(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane

C10H18 — CID 140839293

IUPAC(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@]2(C)CC[C@]1(C)C2
InChIInChI=1S/C10H18/c1-8-6-9(2)4-5-10(8,3)7-9/h8H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyZXKYQYXMIFOLAM-KXUCPTDWSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane

(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane (PubChem CID 140839293) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane
PubChem CID140839293
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@]2(C)CC[C@]1(C)C2
InChIInChI=1S/C10H18/c1-8-6-9(2)4-5-10(8,3)7-9/h8H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyZXKYQYXMIFOLAM-KXUCPTDWSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
3-(1,4-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;rutherfordium
CID 59043251
1,2,6,6-tetramethylbicyclo[3.2.1]octane
CID 91498666
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
(2S)-2-methylspiro[2.2]pentane
CID 153461113
6-methyl-4-azaspiro[2.4]heptane;hydrochloride
CID 71744005
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane (CID 140839293) is (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane is C[C@@H]1C[C@]2(C)CC[C@]1(C)C2.
What is the InChIKey of (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane?
The InChIKey is ZXKYQYXMIFOLAM-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-9(2)4-5-10(8,3)7-9/h8H,4-7H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane?
(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 140839293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).