[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol

C7H14O2 — CID 12672861

IUPAC[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)CO
InChIInChI=1S/C7H14O2/c1-6(2)3-7(6,4-8)5-9/h8-9H,3-5H2,1-2H3
InChIKeyYHLAEYZTZDWJIQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.39
Rot. Bonds2

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

[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 12672861) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
PubChem CID12672861
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)CO
InChIInChI=1S/C7H14O2/c1-6(2)3-7(6,4-8)5-9/h8-9H,3-5H2,1-2H3
InChIKeyYHLAEYZTZDWJIQ-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol (CID 12672861) is [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol is CC1(C)CC1(CO)CO.
What is the InChIKey of [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is YHLAEYZTZDWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)3-7(6,4-8)5-9/h8-9H,3-5H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol?
[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 12672861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).