[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol

C6H10O2 — CID 52920879

IUPAC[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@@H](CO)[C@H]1CO
InChIInChI=1S/C6H10O2/c1-4-5(2-7)6(4)3-8/h5-8H,1-3H2/t5-,6+
InChIKeySUAJNHGXHTVCFN-OLQVQODUSA-N
MW114.14 g/mol
LogP-0.23
Rot. Bonds2

About [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol

[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol (PubChem CID 52920879) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol
PubChem CID52920879
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol
SMILESC=C1[C@@H](CO)[C@H]1CO
InChIInChI=1S/C6H10O2/c1-4-5(2-7)6(4)3-8/h5-8H,1-3H2/t5-,6+
InChIKeySUAJNHGXHTVCFN-OLQVQODUSA-N
XLogP-0.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol (CID 52920879) is [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol is C=C1[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol?
The InChIKey is SUAJNHGXHTVCFN-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-5(2-7)6(4)3-8/h5-8H,1-3H2/t5-,6+.
What are the key properties of [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol?
[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol has a molecular weight of 114.14 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol is sourced from PubChem (CID 52920879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).