(1,2,3,4-13C4)butan-1-ol

C4H10O — CID 71309697

IUPAC(1,2,3,4-13C4)butan-1-ol
SMILES[13CH3][13CH2][13CH2][13CH2]O
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1+1,2+1,3+1,4+1
InChIKeyLRHPLDYGYMQRHN-JCDJMFQYSA-N
MW78.09 g/mol
LogP0.78
Rot. Bonds2

About (1,2,3,4-13C4)butan-1-ol

(1,2,3,4-13C4)butan-1-ol (PubChem CID 71309697) has the molecular formula C4H10O and a molecular weight of 78.09 g/mol. Its IUPAC name is (1,2,3,4-13C4)butan-1-ol.

Molecular Properties

Compound Name(1,2,3,4-13C4)butan-1-ol
PubChem CID71309697
Molecular FormulaC4H10O
Molecular Weight78.09 g/mol
Exact Mass78.09
IUPAC Name(1,2,3,4-13C4)butan-1-ol
SMILES[13CH3][13CH2][13CH2][13CH2]O
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1+1,2+1,3+1,4+1
InChIKeyLRHPLDYGYMQRHN-JCDJMFQYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1,2,3,4-13C4)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-1-ol
CID 20532113
butane;butan-1-ol
CID 19774960
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);titanium;bromide
CID 20523364
tetrakis(butan-1-ol);propane;titanium
CID 174520119

Frequently Asked Questions

What is the IUPAC name of (1,2,3,4-13C4)butan-1-ol?
The IUPAC name of (1,2,3,4-13C4)butan-1-ol (CID 71309697) is (1,2,3,4-13C4)butan-1-ol.
What is the SMILES notation for (1,2,3,4-13C4)butan-1-ol?
The canonical SMILES for (1,2,3,4-13C4)butan-1-ol is [13CH3][13CH2][13CH2][13CH2]O.
What is the InChIKey of (1,2,3,4-13C4)butan-1-ol?
The InChIKey is LRHPLDYGYMQRHN-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1+1,2+1,3+1,4+1.
What are the key properties of (1,2,3,4-13C4)butan-1-ol?
(1,2,3,4-13C4)butan-1-ol has a molecular weight of 78.09 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4-13C4)butan-1-ol is sourced from PubChem (CID 71309697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).