2,2-dimethyl-1,3-dioxolan-4-ol;methanol

C6H14O4 — CID 70486322

IUPAC2,2-dimethyl-1,3-dioxolan-4-ol;methanol
SMILESCC1(C)OCC(O)O1.CO
InChIInChI=1S/C5H10O3.CH4O/c1-5(2)7-3-4(6)8-5;1-2/h4,6H,3H2,1-2H3;2H,1H3
InChIKeyNPNVLVZWYRAPHT-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.30
Rot. Bonds

About 2,2-dimethyl-1,3-dioxolan-4-ol;methanol

2,2-dimethyl-1,3-dioxolan-4-ol;methanol (PubChem CID 70486322) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolan-4-ol;methanol.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolan-4-ol;methanol
PubChem CID70486322
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2,2-dimethyl-1,3-dioxolan-4-ol;methanol
SMILESCC1(C)OCC(O)O1.CO
InChIInChI=1S/C5H10O3.CH4O/c1-5(2)7-3-4(6)8-5;1-2/h4,6H,3H2,1-2H3;2H,1H3
InChIKeyNPNVLVZWYRAPHT-UHFFFAOYSA-N
XLogP-0.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1,3-dioxolan-4-ol;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane
CID 163566009
(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 14101922
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171
(1S,2R,6S,8R)-10,10-dimethyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
CID 101063403
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolan-4-ol;methanol?
The IUPAC name of 2,2-dimethyl-1,3-dioxolan-4-ol;methanol (CID 70486322) is 2,2-dimethyl-1,3-dioxolan-4-ol;methanol.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolan-4-ol;methanol?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolan-4-ol;methanol is CC1(C)OCC(O)O1.CO.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolan-4-ol;methanol?
The InChIKey is NPNVLVZWYRAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.CH4O/c1-5(2)7-3-4(6)8-5;1-2/h4,6H,3H2,1-2H3;2H,1H3.
What are the key properties of 2,2-dimethyl-1,3-dioxolan-4-ol;methanol?
2,2-dimethyl-1,3-dioxolan-4-ol;methanol has a molecular weight of 150.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxolan-4-ol;methanol is sourced from PubChem (CID 70486322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).