(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene

C30H58O2 — CID 126615263

IUPAC(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCOCCCOC(C)CCCCCCC
InChIInChI=1S/C30H58O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-27-31-28-25-29-32-30(3)26-23-21-9-7-5-2/h11-12,14-15,30H,4-10,13,16-29H2,1-3H3/b12-11-,15-14-
InChIKeyUZWIQSHOCXQRSC-HDXUUTQWSA-N
MW450.79 g/mol
LogP9.97
Rot. Bonds26

About (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene

(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene (PubChem CID 126615263) has the molecular formula C30H58O2 and a molecular weight of 450.79 g/mol. Its IUPAC name is (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene
PubChem CID126615263
Molecular FormulaC30H58O2
Molecular Weight450.79 g/mol
Exact Mass450.44
IUPAC Name(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCOCCCOC(C)CCCCCCC
InChIInChI=1S/C30H58O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-27-31-28-25-29-32-30(3)26-23-21-9-7-5-2/h11-12,14-15,30H,4-10,13,16-29H2,1-3H3/b12-11-,15-14-
InChIKeyUZWIQSHOCXQRSC-HDXUUTQWSA-N
XLogP9.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 59.97
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

1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-2-amine
CID 140829721
1-nonan-2-yloxyoctadecane
CID 88815684
1-octan-2-yloxydecane
CID 86220707
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
CID 123583402
1-(3-dodecoxybutoxy)dodecane
CID 173358855
1-hexan-2-yloxydecane
CID 57029724
(Z)-1-butoxyheptadec-8-ene
CID 87205101
(2R)-1-octadeca-9,12-dienoxyundecan-2-ol
CID 123987134
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-1-ol
CID 138620632

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene (CID 126615263) is (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCCCOCCCOC(C)CCCCCCC.
What is the InChIKey of (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene?
The InChIKey is UZWIQSHOCXQRSC-HDXUUTQWSA-N. The full InChI is InChI=1S/C30H58O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-27-31-28-25-29-32-30(3)26-23-21-9-7-5-2/h11-12,14-15,30H,4-10,13,16-29H2,1-3H3/b12-11-,15-14-.
What are the key properties of (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene?
(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene has a molecular weight of 450.79 g/mol, XLogP of 9.97, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene is sourced from PubChem (CID 126615263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).