[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol

C7H12O4 — CID 141098522

IUPAC[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol
SMILESCC1(C)OC(CO)=C(CO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-5(3-8)6(4-9)11-7/h8-9H,3-4H2,1-2H3
InChIKeyWFINXDRJYMAARE-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.03
Rot. Bonds2

About [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol

[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol (PubChem CID 141098522) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol
PubChem CID141098522
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol
SMILESCC1(C)OC(CO)=C(CO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-5(3-8)6(4-9)11-7/h8-9H,3-4H2,1-2H3
InChIKeyWFINXDRJYMAARE-UHFFFAOYSA-N
XLogP-0.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol (CID 141098522) is [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol is CC1(C)OC(CO)=C(CO)O1.
What is the InChIKey of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol?
The InChIKey is WFINXDRJYMAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(2)10-5(3-8)6(4-9)11-7/h8-9H,3-4H2,1-2H3.
What are the key properties of [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol?
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol has a molecular weight of 160.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol is sourced from PubChem (CID 141098522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).