2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]

C19H32 — CID 123598108

IUPAC2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]
SMILESCCC1C(C)C12CC(C)C1CC2C2C(C)C(C)CC12
InChIInChI=1S/C19H32/c1-6-16-13(5)19(16)9-11(3)14-8-17(19)18-12(4)10(2)7-15(14)18/h10-18H,6-9H2,1-5H3
InChIKeyAFOAELBDNCPKDK-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.23
Rot. Bonds1

About 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]

2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] (PubChem CID 123598108) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane].

Molecular Properties

Compound Name2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]
PubChem CID123598108
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]
SMILESCCC1C(C)C12CC(C)C1CC2C2C(C)C(C)CC12
InChIInChI=1S/C19H32/c1-6-16-13(5)19(16)9-11(3)14-8-17(19)18-12(4)10(2)7-15(14)18/h10-18H,6-9H2,1-5H3
InChIKeyAFOAELBDNCPKDK-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]?
The IUPAC name of 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] (CID 123598108) is 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane].
What is the SMILES notation for 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]?
The canonical SMILES for 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] is CCC1C(C)C12CC(C)C1CC2C2C(C)C(C)CC12.
What is the InChIKey of 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]?
The InChIKey is AFOAELBDNCPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-6-16-13(5)19(16)9-11(3)14-8-17(19)18-12(4)10(2)7-15(14)18/h10-18H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane]?
2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] has a molecular weight of 260.46 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3',4',8'-tetramethylspiro[cyclopropane-1,10'-tricyclo[5.3.1.02,6]undecane] is sourced from PubChem (CID 123598108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).