(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one

C10H18O4 — CID 6712561

IUPAC(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one
SMILESCCOC(C)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C10H18O4/c1-5-12-7(2)14-8-9(11)13-6-10(8,3)4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyXCKWOXNXPRBXHF-MQWKRIRWSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one

(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one (PubChem CID 6712561) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one
PubChem CID6712561
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one
SMILESCCOC(C)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C10H18O4/c1-5-12-7(2)14-8-9(11)13-6-10(8,3)4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyXCKWOXNXPRBXHF-MQWKRIRWSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one?
The IUPAC name of (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one (CID 6712561) is (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one is CCOC(C)O[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one?
The InChIKey is XCKWOXNXPRBXHF-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-12-7(2)14-8-9(11)13-6-10(8,3)4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one?
(3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-ethoxyethoxy)-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 6712561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).