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

C6H11NO3 — CID 91042415

IUPAC(4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
SMILESCC1(C)OC[C@H](CN=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyWOQHSVYLICKDES-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.90
Rot. Bonds2

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

(4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane (PubChem CID 91042415) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
PubChem CID91042415
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane
SMILESCC1(C)OC[C@H](CN=O)O1
InChIInChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyWOQHSVYLICKDES-YFKPBYRVSA-N
XLogP0.90
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane (CID 91042415) is (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane is CC1(C)OC[C@H](CN=O)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
The InChIKey is WOQHSVYLICKDES-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)9-4-5(10-6)3-7-8/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane?
(4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane has a molecular weight of 145.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(nitrosomethyl)-1,3-dioxolane is sourced from PubChem (CID 91042415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).