[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol

C6H10O2 — CID 91031707

IUPAC[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol
SMILESOCC1(CO)C2CC21
InChIInChI=1S/C6H10O2/c7-2-6(3-8)4-1-5(4)6/h4-5,7-8H,1-3H2
InChIKeyDHPJSSCCFXRPGM-UHFFFAOYSA-N
MW114.14 g/mol
LogP-0.39
Rot. Bonds2

About [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol

[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol (PubChem CID 91031707) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol
PubChem CID91031707
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol
SMILESOCC1(CO)C2CC21
InChIInChI=1S/C6H10O2/c7-2-6(3-8)4-1-5(4)6/h4-5,7-8H,1-3H2
InChIKeyDHPJSSCCFXRPGM-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol (CID 91031707) is [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol is OCC1(CO)C2CC21.
What is the InChIKey of [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol?
The InChIKey is DHPJSSCCFXRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-2-6(3-8)4-1-5(4)6/h4-5,7-8H,1-3H2.
What are the key properties of [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol?
[2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol has a molecular weight of 114.14 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 [2-(hydroxymethyl)-2-bicyclo[1.1.0]butanyl]methanol is sourced from PubChem (CID 91031707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).