(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol

C10H20O4 — CID 56673704

IUPAC(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol
SMILESCC[C@@H]1CC(C)(C)OO[C@@H]1[C@H](O)CO
InChIInChI=1S/C10H20O4/c1-4-7-5-10(2,3)14-13-9(7)8(12)6-11/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyLVVLDVKMIWDDBF-HLTSFMKQSA-N
MW204.27 g/mol
LogP0.86
Rot. Bonds3

About (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol

(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol (PubChem CID 56673704) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol
PubChem CID56673704
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol
SMILESCC[C@@H]1CC(C)(C)OO[C@@H]1[C@H](O)CO
InChIInChI=1S/C10H20O4/c1-4-7-5-10(2,3)14-13-9(7)8(12)6-11/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyLVVLDVKMIWDDBF-HLTSFMKQSA-N
XLogP0.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol (CID 56673704) is (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol is CC[C@@H]1CC(C)(C)OO[C@@H]1[C@H](O)CO.
What is the InChIKey of (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol?
The InChIKey is LVVLDVKMIWDDBF-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-7-5-10(2,3)14-13-9(7)8(12)6-11/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol?
(1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol has a molecular weight of 204.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S,4R)-4-ethyl-6,6-dimethyldioxan-3-yl]ethane-1,2-diol is sourced from PubChem (CID 56673704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).