1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol

C8H16O — CID 67160266

IUPAC1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
SMILESCC[C@H]1C[C@H]1CC(C)O
InChIInChI=1S/C8H16O/c1-3-7-5-8(7)4-6(2)9/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyJTWAPXXPIVWBGT-ZHFSPANRSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds3

About 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol

1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol (PubChem CID 67160266) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol.

Molecular Properties

Compound Name1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
PubChem CID67160266
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
SMILESCC[C@H]1C[C@H]1CC(C)O
InChIInChI=1S/C8H16O/c1-3-7-5-8(7)4-6(2)9/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyJTWAPXXPIVWBGT-ZHFSPANRSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol?
The IUPAC name of 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol (CID 67160266) is 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol.
What is the SMILES notation for 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol?
The canonical SMILES for 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol is CC[C@H]1C[C@H]1CC(C)O.
What is the InChIKey of 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol?
The InChIKey is JTWAPXXPIVWBGT-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H16O/c1-3-7-5-8(7)4-6(2)9/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1.
What are the key properties of 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol?
1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol is sourced from PubChem (CID 67160266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).