1-iodopent-1-en-1-ol

C5H9IO — CID 154405328

IUPAC1-iodopent-1-en-1-ol
SMILESCCCC=C(O)I
InChIInChI=1S/C5H9IO/c1-2-3-4-5(6)7/h4,7H,2-3H2,1H3
InChIKeyFCAPGAWCMXUBMJ-UHFFFAOYSA-N
MW212.03 g/mol
LogP2.62
Rot. Bonds2

About 1-iodopent-1-en-1-ol

1-iodopent-1-en-1-ol (PubChem CID 154405328) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 1-iodopent-1-en-1-ol.

Molecular Properties

Compound Name1-iodopent-1-en-1-ol
PubChem CID154405328
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name1-iodopent-1-en-1-ol
SMILESCCCC=C(O)I
InChIInChI=1S/C5H9IO/c1-2-3-4-5(6)7/h4,7H,2-3H2,1H3
InChIKeyFCAPGAWCMXUBMJ-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

pent-1-ene-1,1-diol
CID 21473005
(E)-3-iodohept-3-en-2-one
CID 101368269
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
(E)-1,1,1-trichlorohex-2-en-2-ol
CID 88736650
(E)-2-chlorohex-2-ene
CID 19796923
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
3-hydroxyhept-3-enoic acid
CID 173143432
1-methylsulfonylpent-1-en-1-ol
CID 141149900
CID 154668407
CID 154668407
(Z)-2-bromohex-2-en-1-ol
CID 23238559

Frequently Asked Questions

What is the IUPAC name of 1-iodopent-1-en-1-ol?
The IUPAC name of 1-iodopent-1-en-1-ol (CID 154405328) is 1-iodopent-1-en-1-ol.
What is the SMILES notation for 1-iodopent-1-en-1-ol?
The canonical SMILES for 1-iodopent-1-en-1-ol is CCCC=C(O)I.
What is the InChIKey of 1-iodopent-1-en-1-ol?
The InChIKey is FCAPGAWCMXUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c1-2-3-4-5(6)7/h4,7H,2-3H2,1H3.
What are the key properties of 1-iodopent-1-en-1-ol?
1-iodopent-1-en-1-ol has a molecular weight of 212.03 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopent-1-en-1-ol is sourced from PubChem (CID 154405328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).