14-isocyanatotetradecan-1-ol

C15H29NO2 — CID 87683620

IUPAC14-isocyanatotetradecan-1-ol
SMILESO=C=NCCCCCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-15-18/h17H,1-14H2
InChIKeyCCONEQBSSKTUSE-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.00
Rot. Bonds14

About 14-isocyanatotetradecan-1-ol

14-isocyanatotetradecan-1-ol (PubChem CID 87683620) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 14-isocyanatotetradecan-1-ol.

Molecular Properties

Compound Name14-isocyanatotetradecan-1-ol
PubChem CID87683620
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name14-isocyanatotetradecan-1-ol
SMILESO=C=NCCCCCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-15-18/h17H,1-14H2
InChIKeyCCONEQBSSKTUSE-UHFFFAOYSA-N
XLogP4.00
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

13-isocyanatotridecan-1-ol
CID 87683685
9-isocyanatononan-1-ol
CID 87686288
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
dichloro(37-isocyanatoheptatriacontyl)silane
CID 173136579
N-(6-isocyanatohexyliminomethylidene)hydroxylamine
CID 23284146
dichloro(15-isocyanatopentadecyl)silane
CID 173135794
dichloro(13-isocyanatotridecyl)silane
CID 173136330
1,11-diisocyanatoundecan-6-one
CID 102249714
1-chloro-7-isocyanatoheptane
CID 19019022
1-fluoro-14-isocyanatotetradecane
CID 171060665

Frequently Asked Questions

What is the IUPAC name of 14-isocyanatotetradecan-1-ol?
The IUPAC name of 14-isocyanatotetradecan-1-ol (CID 87683620) is 14-isocyanatotetradecan-1-ol.
What is the SMILES notation for 14-isocyanatotetradecan-1-ol?
The canonical SMILES for 14-isocyanatotetradecan-1-ol is O=C=NCCCCCCCCCCCCCCO.
What is the InChIKey of 14-isocyanatotetradecan-1-ol?
The InChIKey is CCONEQBSSKTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-15-18/h17H,1-14H2.
What are the key properties of 14-isocyanatotetradecan-1-ol?
14-isocyanatotetradecan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 4.00, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-isocyanatotetradecan-1-ol is sourced from PubChem (CID 87683620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).