4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol

C6H12O4 — CID 57010938

IUPAC4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OCC(O)(CO)O1
InChIInChI=1S/C6H12O4/c1-5(2)9-4-6(8,3-7)10-5/h7-8H,3-4H2,1-2H3
InChIKeyAYDYEKFBIYMLFE-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds1

About 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol

4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol (PubChem CID 57010938) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol
PubChem CID57010938
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OCC(O)(CO)O1
InChIInChI=1S/C6H12O4/c1-5(2)9-4-6(8,3-7)10-5/h7-8H,3-4H2,1-2H3
InChIKeyAYDYEKFBIYMLFE-UHFFFAOYSA-N
XLogP-0.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Solketal
CID 7528
1,3-Dioxolane-4-methanol
CID 21618
(2-Methyl-1,3-dioxolan-4-yl)methanol
CID 95269
(R)-Solketal
CID 736056
(+)-Solketal
CID 736057
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
(2,4-Dimethyl-1,3-dioxolan-2-yl)methanol
CID 538742
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-
CID 785242
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R,5R)-
CID 785244
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 4219754
2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 11051805
(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
CID 11480522

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol?
The IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol (CID 57010938) is 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol is CC1(C)OCC(O)(CO)O1.
What is the InChIKey of 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol?
The InChIKey is AYDYEKFBIYMLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(2)9-4-6(8,3-7)10-5/h7-8H,3-4H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol?
4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol has a molecular weight of 148.16 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-ol is sourced from PubChem (CID 57010938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).