10-isocyanatodec-1-ene

C11H19NO — CID 15675480

IUPAC10-isocyanatodec-1-ene
SMILESC=CCCCCCCCCN=C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2H,1,3-10H2
InChIKeyRDKLNZXBKGJRIY-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.24
Rot. Bonds9

About 10-isocyanatodec-1-ene

10-isocyanatodec-1-ene (PubChem CID 15675480) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 10-isocyanatodec-1-ene.

Molecular Properties

Compound Name10-isocyanatodec-1-ene
PubChem CID15675480
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name10-isocyanatodec-1-ene
SMILESC=CCCCCCCCCN=C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2H,1,3-10H2
InChIKeyRDKLNZXBKGJRIY-UHFFFAOYSA-N
XLogP3.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Isocyanatohex-1-ene
CID 11964292
Decenyl isocyanate
CID 23330938
1,16-Diisocyanatohexadec-8-ene
CID 129861746
cis-8-Heptadecenyl isocyanate
CID 129727573
cis-8,11-Heptadecadienyl isocyanate
CID 129727745
(E)-1,12-diisocyanatododec-1-ene
CID 18546578
(E)-1-isocyanatooctadec-9-ene
CID 20229294
(E)-1-isocyanatotetradec-1-ene
CID 21426873
(E)-1-isocyanatododec-1-ene
CID 21426875
5-Isocyanatonon-1-ene
CID 22378186
8-Isocyanatooct-1-ene
CID 22467711
1-Isocyanatodec-1-ene
CID 53907034

Frequently Asked Questions

What is the IUPAC name of 10-isocyanatodec-1-ene?
The IUPAC name of 10-isocyanatodec-1-ene (CID 15675480) is 10-isocyanatodec-1-ene.
What is the SMILES notation for 10-isocyanatodec-1-ene?
The canonical SMILES for 10-isocyanatodec-1-ene is C=CCCCCCCCCN=C=O.
What is the InChIKey of 10-isocyanatodec-1-ene?
The InChIKey is RDKLNZXBKGJRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2H,1,3-10H2.
What are the key properties of 10-isocyanatodec-1-ene?
10-isocyanatodec-1-ene has a molecular weight of 181.28 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isocyanatodec-1-ene is sourced from PubChem (CID 15675480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).