[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol

C7H14O — CID 166440161

IUPAC[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol
SMILESCC[C@H]1C[C@]1(C)CO
InChIInChI=1S/C7H14O/c1-3-6-4-7(6,2)5-8/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyHWEOUQRUUBUANF-NKWVEPMBSA-N
MW114.19 g/mol
LogP1.41
Rot. Bonds2

About [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol

[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol (PubChem CID 166440161) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol
PubChem CID166440161
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol
SMILESCC[C@H]1C[C@]1(C)CO
InChIInChI=1S/C7H14O/c1-3-6-4-7(6,2)5-8/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyHWEOUQRUUBUANF-NKWVEPMBSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol (CID 166440161) is [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol is CC[C@H]1C[C@]1(C)CO.
What is the InChIKey of [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol?
The InChIKey is HWEOUQRUUBUANF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O/c1-3-6-4-7(6,2)5-8/h6,8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol?
[(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol has a molecular weight of 114.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethyl-1-methylcyclopropyl]methanol is sourced from PubChem (CID 166440161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).