(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane

C10H20O2 — CID 52951884

IUPAC(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC[C@@H]1OC(CC(C)C)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-10H,5-6H2,1-4H3/t8-,9-,10?/m0/s1
InChIKeyWVTKMYYAEYEMBL-XMCUXHSSSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

About (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane

(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 52951884) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID52951884
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC[C@@H]1OC(CC(C)C)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-10H,5-6H2,1-4H3/t8-,9-,10?/m0/s1
InChIKeyWVTKMYYAEYEMBL-XMCUXHSSSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane 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-Isobutyl-4-methyl-1,3-dioxolane
CID 86733
Valeraldehyde propyleneglycol acetal
CID 156273
4-Methyl-2-(1-methylethyl)-1,3-dioxolane
CID 98461
2,2-Diisopropyl-1,3-dioxolane
CID 78137
1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
2-Sec-butyl-1,3-dioxolane
CID 518948
2,4-Dimethyl-2-propyl-1,3-dioxolane
CID 22737
4,5-Dimethyl-2-propyl-1,3-dioxolane
CID 252509
trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane
CID 52951881
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
CID 52951882
rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
CID 52951885
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (CID 52951884) is (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane is CC[C@@H]1OC(CC(C)C)O[C@H]1C.
What is the InChIKey of (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is WVTKMYYAEYEMBL-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-10H,5-6H2,1-4H3/t8-,9-,10?/m0/s1.
What are the key properties of (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
(4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 52951884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).