(E)-1-isocyanatodec-1-ene

C11H19NO — CID 23330938

IUPAC(E)-1-isocyanatodec-1-ene
SMILESCCCCCCCC/C=C/N=C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h9-10H,2-8H2,1H3/b10-9+
InChIKeyIBBMDCFNYKGZSL-MDZDMXLPSA-N
MW181.28 g/mol
LogP3.59
Rot. Bonds8

About (E)-1-isocyanatodec-1-ene

(E)-1-isocyanatodec-1-ene (PubChem CID 23330938) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-1-isocyanatodec-1-ene.

Molecular Properties

Compound Name(E)-1-isocyanatodec-1-ene
PubChem CID23330938
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-1-isocyanatodec-1-ene
SMILESCCCCCCCC/C=C/N=C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h9-10H,2-8H2,1H3/b10-9+
InChIKeyIBBMDCFNYKGZSL-MDZDMXLPSA-N
XLogP3.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.59
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'}

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Related Compounds

10-Isocyanatodec-1-ene
CID 15675480
1-Isocyanatohex-1-ene
CID 57211027
(E)-1-isocyanatooct-1-ene
CID 12573464
(E)-1,12-diisocyanatododec-1-ene
CID 18546578
(E)-1-isocyanatoheptadec-1-ene
CID 19893571
(E)-1-isocyanatotetradec-1-ene
CID 21426873
(E)-1-isocyanatoicos-1-ene
CID 21426874
(E)-1-isocyanatododec-1-ene
CID 21426875
(E)-1-isocyanatooctadec-1-ene
CID 22555898
(E)-1-isocyanatohexadec-1-ene
CID 22766822
1-Isocyanatodec-1-ene
CID 53907034
1-Isocyanatooctadec-1-ene
CID 54042337

Frequently Asked Questions

What is the IUPAC name of (E)-1-isocyanatodec-1-ene?
The IUPAC name of (E)-1-isocyanatodec-1-ene (CID 23330938) is (E)-1-isocyanatodec-1-ene.
What is the SMILES notation for (E)-1-isocyanatodec-1-ene?
The canonical SMILES for (E)-1-isocyanatodec-1-ene is CCCCCCCC/C=C/N=C=O.
What is the InChIKey of (E)-1-isocyanatodec-1-ene?
The InChIKey is IBBMDCFNYKGZSL-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h9-10H,2-8H2,1H3/b10-9+.
What are the key properties of (E)-1-isocyanatodec-1-ene?
(E)-1-isocyanatodec-1-ene has a molecular weight of 181.28 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-isocyanatodec-1-ene is sourced from PubChem (CID 23330938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).