9-isocyanatononan-1-ol

C10H19NO2 — CID 87686288

IUPAC9-isocyanatononan-1-ol
SMILESO=C=NCCCCCCCCCO
InChIInChI=1S/C10H19NO2/c12-9-7-5-3-1-2-4-6-8-11-10-13/h12H,1-9H2
InChIKeySNBPTZHGXNEQBR-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds9

About 9-isocyanatononan-1-ol

9-isocyanatononan-1-ol (PubChem CID 87686288) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 9-isocyanatononan-1-ol.

Molecular Properties

Compound Name9-isocyanatononan-1-ol
PubChem CID87686288
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name9-isocyanatononan-1-ol
SMILESO=C=NCCCCCCCCCO
InChIInChI=1S/C10H19NO2/c12-9-7-5-3-1-2-4-6-8-11-10-13/h12H,1-9H2
InChIKeySNBPTZHGXNEQBR-UHFFFAOYSA-N
XLogP2.05
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
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
14-isocyanatotetradecan-1-ol
CID 87683620
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 9-isocyanatononan-1-ol?
The IUPAC name of 9-isocyanatononan-1-ol (CID 87686288) is 9-isocyanatononan-1-ol.
What is the SMILES notation for 9-isocyanatononan-1-ol?
The canonical SMILES for 9-isocyanatononan-1-ol is O=C=NCCCCCCCCCO.
What is the InChIKey of 9-isocyanatononan-1-ol?
The InChIKey is SNBPTZHGXNEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-9-7-5-3-1-2-4-6-8-11-10-13/h12H,1-9H2.
What are the key properties of 9-isocyanatononan-1-ol?
9-isocyanatononan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isocyanatononan-1-ol is sourced from PubChem (CID 87686288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).