17-iodoheptadecan-1-ol

C17H35IO — CID 87684669

IUPAC17-iodoheptadecan-1-ol
SMILESOCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C17H35IO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2
InChIKeyNLNHLHKMGLGZPS-UHFFFAOYSA-N
MW382.37 g/mol
LogP6.27
Rot. Bonds16

About 17-iodoheptadecan-1-ol

17-iodoheptadecan-1-ol (PubChem CID 87684669) has the molecular formula C17H35IO and a molecular weight of 382.37 g/mol. Its IUPAC name is 17-iodoheptadecan-1-ol.

Molecular Properties

Compound Name17-iodoheptadecan-1-ol
PubChem CID87684669
Molecular FormulaC17H35IO
Molecular Weight382.37 g/mol
Exact Mass382.17
IUPAC Name17-iodoheptadecan-1-ol
SMILESOCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C17H35IO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2
InChIKeyNLNHLHKMGLGZPS-UHFFFAOYSA-N
XLogP6.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.37
LogP ≤ 56.27
H-Bond Donors ≤ 51
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

18-iodooctadecan-1-ol
CID 87686548
36-iodohexatriacontan-1-ol
CID 87686395
formic acid;4-iodobutan-1-ol
CID 71406357
pentadecane-1,15-diol
CID 518994
1,11-diiodoundecane
CID 4060847
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
hexane-1,6-diol;octane-1,8-diol
CID 21202869
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
(5R)-9-iodo-5-methylnonan-1-ol
CID 139766803

Frequently Asked Questions

What is the IUPAC name of 17-iodoheptadecan-1-ol?
The IUPAC name of 17-iodoheptadecan-1-ol (CID 87684669) is 17-iodoheptadecan-1-ol.
What is the SMILES notation for 17-iodoheptadecan-1-ol?
The canonical SMILES for 17-iodoheptadecan-1-ol is OCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 17-iodoheptadecan-1-ol?
The InChIKey is NLNHLHKMGLGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35IO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h19H,1-17H2.
What are the key properties of 17-iodoheptadecan-1-ol?
17-iodoheptadecan-1-ol has a molecular weight of 382.37 g/mol, XLogP of 6.27, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-iodoheptadecan-1-ol is sourced from PubChem (CID 87684669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).