2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol

C13H26O4 — CID 12987256

IUPAC2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol
SMILESCC(C)[C@@H](O[C@@H]1CCC[C@H](C)O1)C(CO)CO
InChIInChI=1S/C13H26O4/c1-9(2)13(11(7-14)8-15)17-12-6-4-5-10(3)16-12/h9-15H,4-8H2,1-3H3/t10-,12+,13+/m0/s1
InChIKeyOGYZMFOPDCZEBK-CYZMBNFOSA-N
MW246.35 g/mol
LogP1.54
Rot. Bonds6

About 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol

2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol (PubChem CID 12987256) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol
PubChem CID12987256
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol
SMILESCC(C)[C@@H](O[C@@H]1CCC[C@H](C)O1)C(CO)CO
InChIInChI=1S/C13H26O4/c1-9(2)13(11(7-14)8-15)17-12-6-4-5-10(3)16-12/h9-15H,4-8H2,1-3H3/t10-,12+,13+/m0/s1
InChIKeyOGYZMFOPDCZEBK-CYZMBNFOSA-N
XLogP1.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol?
The IUPAC name of 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol (CID 12987256) is 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol.
What is the SMILES notation for 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol?
The canonical SMILES for 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol is CC(C)[C@@H](O[C@@H]1CCC[C@H](C)O1)C(CO)CO.
What is the InChIKey of 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol?
The InChIKey is OGYZMFOPDCZEBK-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H26O4/c1-9(2)13(11(7-14)8-15)17-12-6-4-5-10(3)16-12/h9-15H,4-8H2,1-3H3/t10-,12+,13+/m0/s1.
What are the key properties of 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol?
2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol has a molecular weight of 246.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol is sourced from PubChem (CID 12987256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).