(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene

C17H29NO — CID 129027083

IUPAC(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCN=O
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKeyASOIZSBMGSROGY-QNEBEIHSSA-N
MW263.42 g/mol
LogP5.95
Rot. Bonds13

About (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene

(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene (PubChem CID 129027083) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene.

Molecular Properties

Compound Name(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene
PubChem CID129027083
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCN=O
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKeyASOIZSBMGSROGY-QNEBEIHSSA-N
XLogP5.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-nitrosodec-4-ene
CID 156792412
(Z)-1-nitrosodec-3-ene
CID 173489442
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
icosa-5,8,11,14-tetraenal
CID 54011823
(1814C)octatriaconta-23,26,29,32-tetraen-18-one
CID 54210410
docosa-4,7,11-triene
CID 141035180

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene?
The IUPAC name of (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene (CID 129027083) is (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene.
What is the SMILES notation for (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene?
The canonical SMILES for (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene is CCCCC/C=C\C/C=C\C/C=C\CCCCN=O.
What is the InChIKey of (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene?
The InChIKey is ASOIZSBMGSROGY-QNEBEIHSSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-.
What are the key properties of (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene?
(5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene has a molecular weight of 263.42 g/mol, XLogP of 5.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z)-1-nitrosoheptadeca-5,8,11-triene is sourced from PubChem (CID 129027083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).