2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol

C9H18O4 — CID 130148007

IUPAC2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC(CCO)C(C)(CO)O1
InChIInChI=1S/C9H18O4/c1-8(2)12-7(4-5-10)9(3,6-11)13-8/h7,10-11H,4-6H2,1-3H3
InChIKeyMIWRSPGRTNTLNY-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.27
Rot. Bonds3

About 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol

2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 130148007) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID130148007
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC(CCO)C(C)(CO)O1
InChIInChI=1S/C9H18O4/c1-8(2)12-7(4-5-10)9(3,6-11)13-8/h7,10-11H,4-6H2,1-3H3
InChIKeyMIWRSPGRTNTLNY-UHFFFAOYSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
[(2S,3S)-3-[(3S)-3,5-dimethylhexyl]-2-methyloxiran-2-yl]methanol
CID 11790226
2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
CID 11506759
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
(3aS,5R,6S,6aR)-3a-amino-5-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 70364532

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol (CID 130148007) is 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol is CC1(C)OC(CCO)C(C)(CO)O1.
What is the InChIKey of 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is MIWRSPGRTNTLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(2)12-7(4-5-10)9(3,6-11)13-8/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol?
2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 190.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 130148007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).