(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane

C11H20 — CID 148935877

IUPAC(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
SMILESC[C@H]1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C11H20/c1-8-10(2,3)9-5-6-11(8,4)7-9/h8-9H,5-7H2,1-4H3/t8-,9?,11?/m1/s1
InChIKeyPMYDBTRTHASLQO-FKTRJACZSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

About (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane

(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane (PubChem CID 148935877) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
PubChem CID148935877
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
SMILESC[C@H]1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C11H20/c1-8-10(2,3)9-5-6-11(8,4)7-9/h8-9H,5-7H2,1-4H3/t8-,9?,11?/m1/s1
InChIKeyPMYDBTRTHASLQO-FKTRJACZSA-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

[2-(hydroxymethyl)-3,4-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 139754074
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
1,3,3-trimethyl-2-(3-methylbutan-2-yloxy)bicyclo[2.2.1]heptane
CID 71217404
2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 14365455
1,3,3-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane
CID 173187277
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184537
O-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)] carbamothioate
CID 130018039
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436
1-[2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]cyclopropan-1-amine
CID 56636620
N-[diethylamino-[(1S,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphanyl]-N-ethylethanamine
CID 102166217

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane (CID 148935877) is (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane is C[C@H]1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is PMYDBTRTHASLQO-FKTRJACZSA-N. The full InChI is InChI=1S/C11H20/c1-8-10(2,3)9-5-6-11(8,4)7-9/h8-9H,5-7H2,1-4H3/t8-,9?,11?/m1/s1.
What are the key properties of (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane?
(2S)-1,2,3,3-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 (2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 148935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).