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

C7H14O2 — CID 14320849

IUPAC[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)[C@H](CO)[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-7(2)5(3-8)6(7)4-9/h5-6,8-9H,3-4H2,1-2H3/t5-,6+
InChIKeyYTFDQYUOJBRVIC-OLQVQODUSA-N
MW130.19 g/mol
LogP0.24
Rot. Bonds2

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

[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 14320849) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
PubChem CID14320849
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)[C@H](CO)[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-7(2)5(3-8)6(7)4-9/h5-6,8-9H,3-4H2,1-2H3/t5-,6+
InChIKeyYTFDQYUOJBRVIC-OLQVQODUSA-N
XLogP0.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol (CID 14320849) is [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol is CC1(C)[C@H](CO)[C@@H]1CO.
What is the InChIKey of [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is YTFDQYUOJBRVIC-OLQVQODUSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)5(3-8)6(7)4-9/h5-6,8-9H,3-4H2,1-2H3/t5-,6+.
What are the key properties of [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
[(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 14320849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).