3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane

C17H32 — CID 123224647

IUPAC3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane
SMILESCCC1CC(C)(CC2C(C)C2C(C)C)C1(C)C
InChIInChI=1S/C17H32/c1-8-13-9-17(7,16(13,5)6)10-14-12(4)15(14)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyWJTZSNCHGQYXRA-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds4

About 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane

3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane (PubChem CID 123224647) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane.

Molecular Properties

Compound Name3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane
PubChem CID123224647
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane
SMILESCCC1CC(C)(CC2C(C)C2C(C)C)C1(C)C
InChIInChI=1S/C17H32/c1-8-13-9-17(7,16(13,5)6)10-14-12(4)15(14)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyWJTZSNCHGQYXRA-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane?
The IUPAC name of 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane (CID 123224647) is 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane.
What is the SMILES notation for 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane?
The canonical SMILES for 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane is CCC1CC(C)(CC2C(C)C2C(C)C)C1(C)C.
What is the InChIKey of 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane?
The InChIKey is WJTZSNCHGQYXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-13-9-17(7,16(13,5)6)10-14-12(4)15(14)11(2)3/h11-15H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane?
3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane has a molecular weight of 236.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane is sourced from PubChem (CID 123224647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).