(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane

C11H20 — CID 123374537

IUPAC(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H20/c1-8-7-9-5-6-11(8,4)10(9,2)3/h8-9H,5-7H2,1-4H3/t8-,9+,11-/m1/s1
InChIKeyCKDOCTFBFTVPSN-WCABBAIRSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

About (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane

(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane (PubChem CID 123374537) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
PubChem CID123374537
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H20/c1-8-7-9-5-6-11(8,4)10(9,2)3/h8-9H,5-7H2,1-4H3/t8-,9+,11-/m1/s1
InChIKeyCKDOCTFBFTVPSN-WCABBAIRSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55278790
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
CID 142049190
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane (CID 123374537) is (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane is C[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is CKDOCTFBFTVPSN-WCABBAIRSA-N. The full InChI is InChI=1S/C11H20/c1-8-7-9-5-6-11(8,4)10(9,2)3/h8-9H,5-7H2,1-4H3/t8-,9+,11-/m1/s1.
What are the key properties of (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 123374537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).