2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol

C9H18O3 — CID 67299483

IUPAC2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@@H](CCO)C(C)(C)O1
InChIInChI=1S/C9H18O3/c1-8(2)7(5-6-10)11-9(3,4)12-8/h7,10H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLYCXBTVCFVTWCV-ZETCQYMHSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds2

About 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol

2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 67299483) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID67299483
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@@H](CCO)C(C)(C)O1
InChIInChI=1S/C9H18O3/c1-8(2)7(5-6-10)11-9(3,4)12-8/h7,10H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLYCXBTVCFVTWCV-ZETCQYMHSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol 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

2,2-Bis(1-methylethyl)-1,3-dioxolane-4-methanol
CID 10105
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
2-[5-(1-Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propanol
CID 380759
1,3-Dioxolane-4-methanol, 2-ethyl-2-isopentyl-
CID 21904
(S)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 54467051
3-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,2-diol
CID 504288
1,3-Dioxolane-4-ethanol, 2,2,4-trimethyl-
CID 537879
(2S,3S)-3-Methylbutan-1,2,4-triol 1,2-isopropylidene acetal
CID 11622376
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylpropan-1-ol
CID 12241296
(2,2,5,5-Tetramethyl-1,3-dioxolan-4-yl)methanol
CID 13227508
(R)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 56973691
2-[(4R)-2,2-Diethyl-1,3-dioxolan-4-yl]ethan-1-ol
CID 71353718

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol (CID 67299483) is 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol is CC1(C)O[C@@H](CCO)C(C)(C)O1.
What is the InChIKey of 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is LYCXBTVCFVTWCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2)7(5-6-10)11-9(3,4)12-8/h7,10H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol?
2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 67299483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).