6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane

C17H32 — CID 123630541

IUPAC6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane
SMILESCCC12CC(C)(CC(C)(C)C)C1CCC2(C)C
InChIInChI=1S/C17H32/c1-8-17-12-16(7,11-14(2,3)4)13(17)9-10-15(17,5)6/h13H,8-12H2,1-7H3
InChIKeyKCHNIHFCFXKOOC-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane

6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane (PubChem CID 123630541) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane
PubChem CID123630541
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane
SMILESCCC12CC(C)(CC(C)(C)C)C1CCC2(C)C
InChIInChI=1S/C17H32/c1-8-17-12-16(7,11-14(2,3)4)13(17)9-10-15(17,5)6/h13H,8-12H2,1-7H3
InChIKeyKCHNIHFCFXKOOC-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane with MolForge

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Related Compounds

2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 123830542
1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane
CID 123698002
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 162149662
1-tert-butyl-1-ethylcyclopropane
CID 58798513
N-(2,2-dimethylpropyl)-4,4-dimethylcyclohexan-1-amine
CID 58172158
1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 91065201
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
CID 123276891
1-(2,2-dimethylpropyl)-2-methylcyclopropan-1-amine
CID 79333729
3-(2,2-dimethylpropyl)-2-ethyl-1-methyl-3-propylpiperidine
CID 174349254

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane?
The IUPAC name of 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane (CID 123630541) is 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane is CCC12CC(C)(CC(C)(C)C)C1CCC2(C)C.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane?
The InChIKey is KCHNIHFCFXKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-17-12-16(7,11-14(2,3)4)13(17)9-10-15(17,5)6/h13H,8-12H2,1-7H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane?
6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane has a molecular weight of 236.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 123630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).