butan-1-ol;chromium

C4H9CrO- — CID 175771419

IUPACbutan-1-ol;chromium
SMILES[CH2-]CCCO.[Cr]
InChIInChI=1S/C4H9O.Cr/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyJCLJJRPFASMAFJ-UHFFFAOYSA-N
MW125.11 g/mol
LogP0.59
Rot. Bonds2

About butan-1-ol;chromium

butan-1-ol;chromium (PubChem CID 175771419) has the molecular formula C4H9CrO- and a molecular weight of 125.11 g/mol. Its IUPAC name is butan-1-ol;chromium.

Molecular Properties

Compound Namebutan-1-ol;chromium
PubChem CID175771419
Molecular FormulaC4H9CrO-
Molecular Weight125.11 g/mol
Exact Mass125.01
IUPAC Namebutan-1-ol;chromium
SMILES[CH2-]CCCO.[Cr]
InChIInChI=1S/C4H9O.Cr/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyJCLJJRPFASMAFJ-UHFFFAOYSA-N
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;chromium?
The IUPAC name of butan-1-ol;chromium (CID 175771419) is butan-1-ol;chromium.
What is the SMILES notation for butan-1-ol;chromium?
The canonical SMILES for butan-1-ol;chromium is [CH2-]CCCO.[Cr].
What is the InChIKey of butan-1-ol;chromium?
The InChIKey is JCLJJRPFASMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Cr/c1-2-3-4-5;/h5H,1-4H2;/q-1;.
What are the key properties of butan-1-ol;chromium?
butan-1-ol;chromium has a molecular weight of 125.11 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;chromium is sourced from PubChem (CID 175771419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).