(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol

C9H18O3 — CID 134995770

IUPAC(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol
SMILES[2H]CC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1/i1D
InChIKeyIEECVJMMTHUMLQ-IWXAPZLBSA-N
MW175.25 g/mol
LogP1.30
Rot. Bonds5

About (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol

(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol (PubChem CID 134995770) has the molecular formula C9H18O3 and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol
PubChem CID134995770
Molecular FormulaC9H18O3
Molecular Weight175.25 g/mol
Exact Mass175.13
IUPAC Name(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol
SMILES[2H]CC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1/i1D
InChIKeyIEECVJMMTHUMLQ-IWXAPZLBSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol?
The IUPAC name of (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol (CID 134995770) is (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol.
What is the SMILES notation for (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol?
The canonical SMILES for (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol is [2H]CC[C@@H](O)COC1CCCCO1.
What is the InChIKey of (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol?
The InChIKey is IEECVJMMTHUMLQ-IWXAPZLBSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1/i1D.
What are the key properties of (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol?
(2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-deuterio-1-(oxan-2-yloxy)butan-2-ol is sourced from PubChem (CID 134995770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).