1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol

C9H18O — CID 67159862

IUPAC1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
SMILESCC(O)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C9H18O/c1-6(10)7-5-8(7)9(2,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1
InChIKeyOBSZQSUDFOZVRB-ZHFSPANRSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds1

About 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol

1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol (PubChem CID 67159862) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol.

Molecular Properties

Compound Name1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
PubChem CID67159862
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
SMILESCC(O)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C9H18O/c1-6(10)7-5-8(7)9(2,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1
InChIKeyOBSZQSUDFOZVRB-ZHFSPANRSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol?
The IUPAC name of 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol (CID 67159862) is 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol.
What is the SMILES notation for 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol?
The canonical SMILES for 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol is CC(O)[C@@H]1C[C@H]1C(C)(C)C.
What is the InChIKey of 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol?
The InChIKey is OBSZQSUDFOZVRB-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H18O/c1-6(10)7-5-8(7)9(2,3)4/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol?
1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol has a molecular weight of 142.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol is sourced from PubChem (CID 67159862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).