butane-2,3-diol;propan-2-ol

C7H18O3 — CID 88653918

IUPACbutane-2,3-diol;propan-2-ol
SMILESCC(C)O.CC(O)C(C)O
InChIInChI=1S/C4H10O2.C3H8O/c1-3(5)4(2)6;1-3(2)4/h3-6H,1-2H3;3-4H,1-2H3
InChIKeyUPIWLPZJUGHOEV-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.14
Rot. Bonds1

About butane-2,3-diol;propan-2-ol

butane-2,3-diol;propan-2-ol (PubChem CID 88653918) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is butane-2,3-diol;propan-2-ol.

Molecular Properties

Compound Namebutane-2,3-diol;propan-2-ol
PubChem CID88653918
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Namebutane-2,3-diol;propan-2-ol
SMILESCC(C)O.CC(O)C(C)O
InChIInChI=1S/C4H10O2.C3H8O/c1-3(5)4(2)6;1-3(2)4/h3-6H,1-2H3;3-4H,1-2H3
InChIKeyUPIWLPZJUGHOEV-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
gold;platinum;pentakis(propan-2-ol)
CID 171063749
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
erbium;propan-2-ol
CID 160843836
CID 85354423
CID 85354423
propan-2-ol;titanium
CID 25200171
CID 131857540
CID 131857540
ethane;tetrakis(propan-2-ol)
CID 174681393
methanol;pentakis(propan-2-ol)
CID 19010899
cerium;tetrakis(propan-2-ol)
CID 87109563
niobium;tris(propan-2-ol)
CID 140526066

Frequently Asked Questions

What is the IUPAC name of butane-2,3-diol;propan-2-ol?
The IUPAC name of butane-2,3-diol;propan-2-ol (CID 88653918) is butane-2,3-diol;propan-2-ol.
What is the SMILES notation for butane-2,3-diol;propan-2-ol?
The canonical SMILES for butane-2,3-diol;propan-2-ol is CC(C)O.CC(O)C(C)O.
What is the InChIKey of butane-2,3-diol;propan-2-ol?
The InChIKey is UPIWLPZJUGHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H8O/c1-3(5)4(2)6;1-3(2)4/h3-6H,1-2H3;3-4H,1-2H3.
What are the key properties of butane-2,3-diol;propan-2-ol?
butane-2,3-diol;propan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol;propan-2-ol is sourced from PubChem (CID 88653918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).