butan-1-ol;methanol

C6H18O3 — CID 23065762

IUPACbutan-1-ol;methanol
SMILESCCCCO.CO.CO
InChIInChI=1S/C4H10O.2CH4O/c1-2-3-4-5;2*1-2/h5H,2-4H2,1H3;2*2H,1H3
InChIKeyCXTCMVJVTGFZMZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP-0.00
Rot. Bonds2

About butan-1-ol;methanol

butan-1-ol;methanol (PubChem CID 23065762) has the molecular formula C6H18O3 and a molecular weight of 138.21 g/mol. Its IUPAC name is butan-1-ol;methanol.

Molecular Properties

Compound Namebutan-1-ol;methanol
PubChem CID23065762
Molecular FormulaC6H18O3
Molecular Weight138.21 g/mol
Exact Mass138.13
IUPAC Namebutan-1-ol;methanol
SMILESCCCCO.CO.CO
InChIInChI=1S/C4H10O.2CH4O/c1-2-3-4-5;2*1-2/h5H,2-4H2,1H3;2*2H,1H3
InChIKeyCXTCMVJVTGFZMZ-UHFFFAOYSA-N
XLogP-0.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butan-1-ol;hafnium;methanol
CID 154075018
butan-1-ol;methanol;zirconium
CID 175401462
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
tris(butan-1-ol);zirconium
CID 25200102
butane;butan-1-ol
CID 19774960
butan-1-ol;cadmium
CID 154199105
butan-1-ol;plumbane
CID 173408910
pentakis(butan-1-ol);vanadium
CID 14228635
tetrakis(butan-1-ol);cerium
CID 87109841

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;methanol?
The IUPAC name of butan-1-ol;methanol (CID 23065762) is butan-1-ol;methanol.
What is the SMILES notation for butan-1-ol;methanol?
The canonical SMILES for butan-1-ol;methanol is CCCCO.CO.CO.
What is the InChIKey of butan-1-ol;methanol?
The InChIKey is CXTCMVJVTGFZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2CH4O/c1-2-3-4-5;2*1-2/h5H,2-4H2,1H3;2*2H,1H3.
What are the key properties of butan-1-ol;methanol?
butan-1-ol;methanol has a molecular weight of 138.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;methanol is sourced from PubChem (CID 23065762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).