2-ethoxy-5-iodopent-4-yn-2-ol

C7H11IO2 — CID 174650973

IUPAC2-ethoxy-5-iodopent-4-yn-2-ol
SMILESCCOC(C)(O)CC#CI
InChIInChI=1S/C7H11IO2/c1-3-10-7(2,9)5-4-6-8/h9H,3,5H2,1-2H3
InChIKeyNVYMEOXBXIFWAW-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.52
Rot. Bonds3

About 2-ethoxy-5-iodopent-4-yn-2-ol

2-ethoxy-5-iodopent-4-yn-2-ol (PubChem CID 174650973) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-ethoxy-5-iodopent-4-yn-2-ol.

Molecular Properties

Compound Name2-ethoxy-5-iodopent-4-yn-2-ol
PubChem CID174650973
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name2-ethoxy-5-iodopent-4-yn-2-ol
SMILESCCOC(C)(O)CC#CI
InChIInChI=1S/C7H11IO2/c1-3-10-7(2,9)5-4-6-8/h9H,3,5H2,1-2H3
InChIKeyNVYMEOXBXIFWAW-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-ethoxypropan-2-ol
CID 174792064
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
2-ethoxytetradecan-2-ol
CID 154401470
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187
1-ethoxypentane-1,1,4,4-tetrol
CID 91379347
2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
CID 170039008

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-iodopent-4-yn-2-ol?
The IUPAC name of 2-ethoxy-5-iodopent-4-yn-2-ol (CID 174650973) is 2-ethoxy-5-iodopent-4-yn-2-ol.
What is the SMILES notation for 2-ethoxy-5-iodopent-4-yn-2-ol?
The canonical SMILES for 2-ethoxy-5-iodopent-4-yn-2-ol is CCOC(C)(O)CC#CI.
What is the InChIKey of 2-ethoxy-5-iodopent-4-yn-2-ol?
The InChIKey is NVYMEOXBXIFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO2/c1-3-10-7(2,9)5-4-6-8/h9H,3,5H2,1-2H3.
What are the key properties of 2-ethoxy-5-iodopent-4-yn-2-ol?
2-ethoxy-5-iodopent-4-yn-2-ol has a molecular weight of 254.07 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-iodopent-4-yn-2-ol is sourced from PubChem (CID 174650973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).