1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane

C11H22O — CID 153422434

IUPAC1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22O/c1-8(2)12-7-9-10(3,4)11(9,5)6/h8-9H,7H2,1-6H3
InChIKeyXFLDTXOLXPQIAG-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds3

About 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane

1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane (PubChem CID 153422434) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane
PubChem CID153422434
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22O/c1-8(2)12-7-9-10(3,4)11(9,5)6/h8-9H,7H2,1-6H3
InChIKeyXFLDTXOLXPQIAG-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane (CID 153422434) is 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is XFLDTXOLXPQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)12-7-9-10(3,4)11(9,5)6/h8-9H,7H2,1-6H3.
What are the key properties of 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane?
1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 153422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).