[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol

C9H18O4 — CID 53310343

IUPAC[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol
SMILESCC[C@]1(CO)C[C@@](CC)(CO)OO1
InChIInChI=1S/C9H18O4/c1-3-8(6-10)5-9(4-2,7-11)13-12-8/h10-11H,3-7H2,1-2H3/t8-,9+
InChIKeyKEAKQIZFZPVDCX-DTORHVGOSA-N
MW190.24 g/mol
LogP0.62
Rot. Bonds4

About [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol

[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol (PubChem CID 53310343) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol
PubChem CID53310343
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol
SMILESCC[C@]1(CO)C[C@@](CC)(CO)OO1
InChIInChI=1S/C9H18O4/c1-3-8(6-10)5-9(4-2,7-11)13-12-8/h10-11H,3-7H2,1-2H3/t8-,9+
InChIKeyKEAKQIZFZPVDCX-DTORHVGOSA-N
XLogP0.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]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

(3aS,5R,6aS)-5,6a-diethyl-5-(hydroxymethyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
CID 11148586
(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol
CID 13237163
(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol
CID 13237164
[2-butylidene-4-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
CID 67886393
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
CID 138039578
[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol
CID 71388894
3,5,5-triethyl-3-methyloxolan-2-one
CID 123494299
[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
CID 134338083
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol (CID 53310343) is [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol is CC[C@]1(CO)C[C@@](CC)(CO)OO1.
What is the InChIKey of [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol?
The InChIKey is KEAKQIZFZPVDCX-DTORHVGOSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-8(6-10)5-9(4-2,7-11)13-12-8/h10-11H,3-7H2,1-2H3/t8-,9+.
What are the key properties of [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol?
[(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol has a molecular weight of 190.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-diethyl-5-(hydroxymethyl)dioxolan-3-yl]methanol is sourced from PubChem (CID 53310343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).