2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane

C15H28 — CID 21014915

IUPAC2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCCC1(C(C)C)CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28/c1-7-15(11(2)3)10-12-8-9-14(15,6)13(12,4)5/h11-12H,7-10H2,1-6H3
InChIKeyQVIMTYWTFQIFNL-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds2

About 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane

2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane (PubChem CID 21014915) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
PubChem CID21014915
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
SMILESCCC1(C(C)C)CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H28/c1-7-15(11(2)3)10-12-8-9-14(15,6)13(12,4)5/h11-12H,7-10H2,1-6H3
InChIKeyQVIMTYWTFQIFNL-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
CID 141126262
(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11043803
propan-2-yl 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 102378092
2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141012812
2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane
CID 153288356
1-ethylbicyclo[2.2.0]hexane
CID 90977886
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 74022055

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane (CID 21014915) is 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane is CCC1(C(C)C)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
The InChIKey is QVIMTYWTFQIFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-7-15(11(2)3)10-12-8-9-14(15,6)13(12,4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane?
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 21014915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).