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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Related Compounds

2-(2-tert-butylcyclopropyl)propanoic acid
CID 84653839
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273921
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190
N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide
CID 144532345
[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate
CID 102460887
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 71160951
1-(2-bicyclo[2.1.1]hexanyl)ethanol
CID 105427290

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).