(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane

C10H18 — CID 14744268

IUPAC(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H18/c1-7-8-4-5-9(6-8)10(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyXETQTCAMTVHYPO-HLTSFMKQSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane

(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 14744268) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
PubChem CID14744268
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESC[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C10H18/c1-7-8-4-5-9(6-8)10(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyXETQTCAMTVHYPO-HLTSFMKQSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
(1R,2S,4S)-3,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
CID 166525664
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
CID 19102269
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
2,2-dimethyl-3-prop-1-enylbicyclo[2.2.1]heptane
CID 73188469
2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 86197708
1-[(1S,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 98051573
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 21332842
2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
CID 20706073
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
4-[(1S,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99133670
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane (CID 14744268) is (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane is C[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C.
What is the InChIKey of (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is XETQTCAMTVHYPO-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H18/c1-7-8-4-5-9(6-8)10(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane?
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 14744268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).