[(1S,2S)-2-ethenylcyclopropyl]methanol

C6H10O — CID 10011846

IUPAC[(1S,2S)-2-ethenylcyclopropyl]methanol
SMILESC=C[C@@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h2,5-7H,1,3-4H2/t5-,6-/m1/s1
InChIKeyBBEUBSMPIQDNHL-PHDIDXHHSA-N
MW98.14 g/mol
LogP0.80
Rot. Bonds2

About [(1S,2S)-2-ethenylcyclopropyl]methanol

[(1S,2S)-2-ethenylcyclopropyl]methanol (PubChem CID 10011846) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is [(1S,2S)-2-ethenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-ethenylcyclopropyl]methanol
PubChem CID10011846
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name[(1S,2S)-2-ethenylcyclopropyl]methanol
SMILESC=C[C@@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h2,5-7H,1,3-4H2/t5-,6-/m1/s1
InChIKeyBBEUBSMPIQDNHL-PHDIDXHHSA-N
XLogP0.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-ethenylcyclopropyl]methanol (CID 10011846) is [(1S,2S)-2-ethenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-ethenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-ethenylcyclopropyl]methanol is C=C[C@@H]1C[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-ethenylcyclopropyl]methanol?
The InChIKey is BBEUBSMPIQDNHL-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h2,5-7H,1,3-4H2/t5-,6-/m1/s1.
What are the key properties of [(1S,2S)-2-ethenylcyclopropyl]methanol?
[(1S,2S)-2-ethenylcyclopropyl]methanol has a molecular weight of 98.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethenylcyclopropyl]methanol is sourced from PubChem (CID 10011846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).