formic acid;4-iodobutan-1-ol

C5H11IO3 — CID 71406357

IUPACformic acid;4-iodobutan-1-ol
SMILESO=CO.OCCCCI
InChIInChI=1S/C4H9IO.CH2O2/c5-3-1-2-4-6;2-1-3/h6H,1-4H2;1H,(H,2,3)
InChIKeyBMUZNFVVHQUPGI-UHFFFAOYSA-N
MW246.04 g/mol
LogP0.89
Rot. Bonds3

About formic acid;4-iodobutan-1-ol

formic acid;4-iodobutan-1-ol (PubChem CID 71406357) has the molecular formula C5H11IO3 and a molecular weight of 246.04 g/mol. Its IUPAC name is formic acid;4-iodobutan-1-ol.

Molecular Properties

Compound Nameformic acid;4-iodobutan-1-ol
PubChem CID71406357
Molecular FormulaC5H11IO3
Molecular Weight246.04 g/mol
Exact Mass245.98
IUPAC Nameformic acid;4-iodobutan-1-ol
SMILESO=CO.OCCCCI
InChIInChI=1S/C4H9IO.CH2O2/c5-3-1-2-4-6;2-1-3/h6H,1-4H2;1H,(H,2,3)
InChIKeyBMUZNFVVHQUPGI-UHFFFAOYSA-N
XLogP0.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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17-iodoheptadecan-1-ol
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(5R)-9-iodo-5-methylnonan-1-ol
CID 139766803
CID 57473458
CID 57473458
butan-1-ol;formic acid;hydrate;hydrochloride
CID 174766764
(E)-12-iodododec-3-en-1-ol
CID 163205046
25-hydroxypentacosanal
CID 90897330
ethane;formamide;heptane-1,7-diol
CID 176682059
17-hydroxyheptadecanal
CID 134210784
34-hydroxytetratriacontanal
CID 123873694
formic acid;propan-1-ol
CID 87192907

Frequently Asked Questions

What is the IUPAC name of formic acid;4-iodobutan-1-ol?
The IUPAC name of formic acid;4-iodobutan-1-ol (CID 71406357) is formic acid;4-iodobutan-1-ol.
What is the SMILES notation for formic acid;4-iodobutan-1-ol?
The canonical SMILES for formic acid;4-iodobutan-1-ol is O=CO.OCCCCI.
What is the InChIKey of formic acid;4-iodobutan-1-ol?
The InChIKey is BMUZNFVVHQUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO.CH2O2/c5-3-1-2-4-6;2-1-3/h6H,1-4H2;1H,(H,2,3).
What are the key properties of formic acid;4-iodobutan-1-ol?
formic acid;4-iodobutan-1-ol has a molecular weight of 246.04 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-iodobutan-1-ol is sourced from PubChem (CID 71406357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).