2-tert-butylcyclopropan-1-ol

C7H14O — CID 13359319

IUPAC2-tert-butylcyclopropan-1-ol
SMILESCC(C)(C)C1CC1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3
InChIKeyBSTIBYLXBXMLAX-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.41
Rot. Bonds

About 2-tert-butylcyclopropan-1-ol

2-tert-butylcyclopropan-1-ol (PubChem CID 13359319) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-tert-butylcyclopropan-1-ol.

Molecular Properties

Compound Name2-tert-butylcyclopropan-1-ol
PubChem CID13359319
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-tert-butylcyclopropan-1-ol
SMILESCC(C)(C)C1CC1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3
InChIKeyBSTIBYLXBXMLAX-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclopropan-1-ol?
The IUPAC name of 2-tert-butylcyclopropan-1-ol (CID 13359319) is 2-tert-butylcyclopropan-1-ol.
What is the SMILES notation for 2-tert-butylcyclopropan-1-ol?
The canonical SMILES for 2-tert-butylcyclopropan-1-ol is CC(C)(C)C1CC1O.
What is the InChIKey of 2-tert-butylcyclopropan-1-ol?
The InChIKey is BSTIBYLXBXMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3.
What are the key properties of 2-tert-butylcyclopropan-1-ol?
2-tert-butylcyclopropan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclopropan-1-ol is sourced from PubChem (CID 13359319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).