(3R)-butane-1,3-diol

C4H10O2 — CID 637497

IUPAC(3R)-butane-1,3-diol
SMILESC[C@@H](O)CCO
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKeyPUPZLCDOIYMWBV-SCSAIBSYSA-N
MW90.12 g/mol
LogP-0.25
Rot. Bonds2

About (3R)-butane-1,3-diol

(3R)-butane-1,3-diol (PubChem CID 637497) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is (3R)-butane-1,3-diol.

Molecular Properties

Compound Name(3R)-butane-1,3-diol
PubChem CID637497
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name(3R)-butane-1,3-diol
SMILESC[C@@H](O)CCO
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKeyPUPZLCDOIYMWBV-SCSAIBSYSA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-butane-1,3-diol?
The IUPAC name of (3R)-butane-1,3-diol (CID 637497) is (3R)-butane-1,3-diol.
What is the SMILES notation for (3R)-butane-1,3-diol?
The canonical SMILES for (3R)-butane-1,3-diol is C[C@@H](O)CCO.
What is the InChIKey of (3R)-butane-1,3-diol?
The InChIKey is PUPZLCDOIYMWBV-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-butane-1,3-diol?
(3R)-butane-1,3-diol has a molecular weight of 90.12 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-butane-1,3-diol is sourced from PubChem (CID 637497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).