(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane

C9H16O3 — CID 15534164

IUPAC(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane
SMILESC[C@@H]1CO[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6-4-10-8(6)7-5-11-9(2,3)12-7/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyKHWRKYRILSKVRY-PRJMDXOYSA-N
MW172.22 g/mol
LogP1.17
Rot. Bonds1

About (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane

(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane (PubChem CID 15534164) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane
PubChem CID15534164
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane
SMILESC[C@@H]1CO[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6-4-10-8(6)7-5-11-9(2,3)12-7/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyKHWRKYRILSKVRY-PRJMDXOYSA-N
XLogP1.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane (CID 15534164) is (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane is C[C@@H]1CO[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane?
The InChIKey is KHWRKYRILSKVRY-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-4-10-8(6)7-5-11-9(2,3)12-7/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane has a molecular weight of 172.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[(2S,3R)-3-methyloxetan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 15534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).