36-iodohexatriacontan-1-ol

C36H73IO — CID 87686395

IUPAC36-iodohexatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C36H73IO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-36H2
InChIKeySOMCDNNJZBRCCQ-UHFFFAOYSA-N
MW648.88 g/mol
LogP13.68
Rot. Bonds35

About 36-iodohexatriacontan-1-ol

36-iodohexatriacontan-1-ol (PubChem CID 87686395) has the molecular formula C36H73IO and a molecular weight of 648.88 g/mol. Its IUPAC name is 36-iodohexatriacontan-1-ol.

Molecular Properties

Compound Name36-iodohexatriacontan-1-ol
PubChem CID87686395
Molecular FormulaC36H73IO
Molecular Weight648.88 g/mol
Exact Mass648.47
IUPAC Name36-iodohexatriacontan-1-ol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C36H73IO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-36H2
InChIKeySOMCDNNJZBRCCQ-UHFFFAOYSA-N
XLogP13.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.88
LogP ≤ 513.68
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
17-iodoheptadecan-1-ol
CID 87684669
formic acid;4-iodobutan-1-ol
CID 71406357
pentadecane-1,15-diol
CID 518994
1,11-diiodoundecane
CID 4060847
hexane-1,6-diol;octane-1,8-diol
CID 21202869
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
(5R)-9-iodo-5-methylnonan-1-ol
CID 139766803

Frequently Asked Questions

What is the IUPAC name of 36-iodohexatriacontan-1-ol?
The IUPAC name of 36-iodohexatriacontan-1-ol (CID 87686395) is 36-iodohexatriacontan-1-ol.
What is the SMILES notation for 36-iodohexatriacontan-1-ol?
The canonical SMILES for 36-iodohexatriacontan-1-ol is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 36-iodohexatriacontan-1-ol?
The InChIKey is SOMCDNNJZBRCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73IO/c37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38/h38H,1-36H2.
What are the key properties of 36-iodohexatriacontan-1-ol?
36-iodohexatriacontan-1-ol has a molecular weight of 648.88 g/mol, XLogP of 13.68, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 36-iodohexatriacontan-1-ol is sourced from PubChem (CID 87686395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).