2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol

C11H22O — CID 121223093

IUPAC2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol
SMILESCC(C)C1(O)C(C)C1C(C)(C)C
InChIInChI=1S/C11H22O/c1-7(2)11(12)8(3)9(11)10(4,5)6/h7-9,12H,1-6H3
InChIKeyWIGCYSZUBOLAKE-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.69
Rot. Bonds1

About 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol

2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol (PubChem CID 121223093) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol
PubChem CID121223093
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol
SMILESCC(C)C1(O)C(C)C1C(C)(C)C
InChIInChI=1S/C11H22O/c1-7(2)11(12)8(3)9(11)10(4,5)6/h7-9,12H,1-6H3
InChIKeyWIGCYSZUBOLAKE-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol?
The IUPAC name of 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol (CID 121223093) is 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol.
What is the SMILES notation for 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol?
The canonical SMILES for 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol is CC(C)C1(O)C(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol?
The InChIKey is WIGCYSZUBOLAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7(2)11(12)8(3)9(11)10(4,5)6/h7-9,12H,1-6H3.
What are the key properties of 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol?
2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-1-propan-2-ylcyclopropan-1-ol is sourced from PubChem (CID 121223093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).