(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

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

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Related Compounds

(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
S-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl] ethanethioate
CID 87982834
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
CID 170573008
(4S)-4-[(E)-3-bromobut-2-enyl]-2,2-diethyl-1,3-dioxolane
CID 11807504
2-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]cycloheptan-1-ol;ethane
CID 90816859
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
(2S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10867343
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
(2,2-diethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
CID 70958215
(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 15929605
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
CID 142748309

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).