1-(3-iodopropoxy)dodecane

C15H31IO — CID 10021003

IUPAC1-(3-iodopropoxy)dodecane
SMILESCCCCCCCCCCCCOCCCI
InChIInChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-15H2,1H3
InChIKeyLKCLITDIPJOCFO-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.75
Rot. Bonds14

About 1-(3-iodopropoxy)dodecane

1-(3-iodopropoxy)dodecane (PubChem CID 10021003) has the molecular formula C15H31IO and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-(3-iodopropoxy)dodecane.

Molecular Properties

Compound Name1-(3-iodopropoxy)dodecane
PubChem CID10021003
Molecular FormulaC15H31IO
Molecular Weight354.32 g/mol
Exact Mass354.14
IUPAC Name1-(3-iodopropoxy)dodecane
SMILESCCCCCCCCCCCCOCCCI
InChIInChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-15H2,1H3
InChIKeyLKCLITDIPJOCFO-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

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
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodopropoxy)dodecane?
The IUPAC name of 1-(3-iodopropoxy)dodecane (CID 10021003) is 1-(3-iodopropoxy)dodecane.
What is the SMILES notation for 1-(3-iodopropoxy)dodecane?
The canonical SMILES for 1-(3-iodopropoxy)dodecane is CCCCCCCCCCCCOCCCI.
What is the InChIKey of 1-(3-iodopropoxy)dodecane?
The InChIKey is LKCLITDIPJOCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-15H2,1H3.
What are the key properties of 1-(3-iodopropoxy)dodecane?
1-(3-iodopropoxy)dodecane has a molecular weight of 354.32 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodopropoxy)dodecane is sourced from PubChem (CID 10021003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).