(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

C7H14O3 — CID 15570875

IUPAC(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyATRLVVVJFBQMEX-LURJTMIESA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds2

About (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 15570875) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID15570875
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyATRLVVVJFBQMEX-LURJTMIESA-N
XLogP0.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 15570875) is (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is COC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ATRLVVVJFBQMEX-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 146.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 15570875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).