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

C10H20O2 — CID 123721016

IUPAC(2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCCC1O[C@@H](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+/m1/s1
InChIKeyWVTKMYYAEYEMBL-FIBVVXLUSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds3

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

(2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 123721016) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID123721016
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCCC1O[C@@H](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+/m1/s1
InChIKeyWVTKMYYAEYEMBL-FIBVVXLUSA-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

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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
GlyTouCan:G70212CQ
CID 52951881
GlyTouCan:G55879EK
CID 52951882
GlyTouCan:G25683ZO
CID 52951885
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (CID 123721016) is (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane is CCC1O[C@@H](CC(C)C)O[C@@H]1C.
What is the InChIKey of (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is WVTKMYYAEYEMBL-FIBVVXLUSA-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+/m1/s1.
What are the key properties of (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane?
(2S,5R)-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 (2S,5R)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 123721016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).