1-(3-iodoprop-2-ynoxy)pentane

C8H13IO — CID 57140404

IUPAC1-(3-iodoprop-2-ynoxy)pentane
SMILESCCCCCOCC#CI
InChIInChI=1S/C8H13IO/c1-2-3-4-7-10-8-5-6-9/h2-4,7-8H2,1H3
InChIKeyOVPSKHFDKQSJGX-UHFFFAOYSA-N
MW252.09 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-iodoprop-2-ynoxy)pentane

1-(3-iodoprop-2-ynoxy)pentane (PubChem CID 57140404) has the molecular formula C8H13IO and a molecular weight of 252.09 g/mol. Its IUPAC name is 1-(3-iodoprop-2-ynoxy)pentane.

Molecular Properties

Compound Name1-(3-iodoprop-2-ynoxy)pentane
PubChem CID57140404
Molecular FormulaC8H13IO
Molecular Weight252.09 g/mol
Exact Mass252.00
IUPAC Name1-(3-iodoprop-2-ynoxy)pentane
SMILESCCCCCOCC#CI
InChIInChI=1S/C8H13IO/c1-2-3-4-7-10-8-5-6-9/h2-4,7-8H2,1H3
InChIKeyOVPSKHFDKQSJGX-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
CID 173146317
CID 173146317
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
methane;1-pentoxypentane;hydrate
CID 175598954
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodoprop-2-ynoxy)pentane?
The IUPAC name of 1-(3-iodoprop-2-ynoxy)pentane (CID 57140404) is 1-(3-iodoprop-2-ynoxy)pentane.
What is the SMILES notation for 1-(3-iodoprop-2-ynoxy)pentane?
The canonical SMILES for 1-(3-iodoprop-2-ynoxy)pentane is CCCCCOCC#CI.
What is the InChIKey of 1-(3-iodoprop-2-ynoxy)pentane?
The InChIKey is OVPSKHFDKQSJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO/c1-2-3-4-7-10-8-5-6-9/h2-4,7-8H2,1H3.
What are the key properties of 1-(3-iodoprop-2-ynoxy)pentane?
1-(3-iodoprop-2-ynoxy)pentane has a molecular weight of 252.09 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodoprop-2-ynoxy)pentane is sourced from PubChem (CID 57140404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).