(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane

C10H20O3 — CID 131860944

IUPAC(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
SMILESCCC1(CC)OC[C@H](CCOC)O1
InChIInChI=1S/C10H20O3/c1-4-10(5-2)12-8-9(13-10)6-7-11-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYLLPIFYYFPZUBA-VIFPVBQESA-N
MW188.27 g/mol
LogP1.95
Rot. Bonds5

About (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane

(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane (PubChem CID 131860944) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
PubChem CID131860944
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
SMILESCCC1(CC)OC[C@H](CCOC)O1
InChIInChI=1S/C10H20O3/c1-4-10(5-2)12-8-9(13-10)6-7-11-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYLLPIFYYFPZUBA-VIFPVBQESA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane?
The IUPAC name of (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane (CID 131860944) is (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane is CCC1(CC)OC[C@H](CCOC)O1.
What is the InChIKey of (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane?
The InChIKey is YLLPIFYYFPZUBA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O3/c1-4-10(5-2)12-8-9(13-10)6-7-11-3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane?
(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane has a molecular weight of 188.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 131860944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).