(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane

C14H26 — CID 143011520

IUPAC(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCCC1CC2CC(C2(C)C)[C@]1(C)CC
InChIInChI=1S/C14H26/c1-6-10-8-11-9-12(13(11,3)4)14(10,5)7-2/h10-12H,6-9H2,1-5H3/t10?,11?,12?,14-/m1/s1
InChIKeyFBTZUQUDGRNMKM-GSPOMADGSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds2

About (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane

(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 143011520) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID143011520
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCCC1CC2CC(C2(C)C)[C@]1(C)CC
InChIInChI=1S/C14H26/c1-6-10-8-11-9-12(13(11,3)4)14(10,5)7-2/h10-12H,6-9H2,1-5H3/t10?,11?,12?,14-/m1/s1
InChIKeyFBTZUQUDGRNMKM-GSPOMADGSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
(2S)-2-ethyl-3,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 59750007
2-ethyl-2-methyladamantane
CID 21349236
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
2,3-diethyl-2-methylbicyclo[2.2.1]heptane
CID 58670456
2',5-diethyl-5-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
CID 123577776
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 143011520) is (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane is CCC1CC2CC(C2(C)C)[C@]1(C)CC.
What is the InChIKey of (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is FBTZUQUDGRNMKM-GSPOMADGSA-N. The full InChI is InChI=1S/C14H26/c1-6-10-8-11-9-12(13(11,3)4)14(10,5)7-2/h10-12H,6-9H2,1-5H3/t10?,11?,12?,14-/m1/s1.
What are the key properties of (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane?
(2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 194.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diethyl-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 143011520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).