(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene

C22H42O — CID 88711859

IUPAC(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene
SMILESCCCCC/C=C(\O/C(=C\CCCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H42O/c1-9-11-13-15-17-19(21(3,4)5)23-20(22(6,7)8)18-16-14-12-10-2/h17-18H,9-16H2,1-8H3/b19-17-,20-18-
InChIKeyCQNRHKLKNSFRBV-CLFAGFIQSA-N
MW322.58 g/mol
LogP8.02
Rot. Bonds10

About (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene

(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene (PubChem CID 88711859) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene.

Molecular Properties

Compound Name(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene
PubChem CID88711859
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene
SMILESCCCCC/C=C(\O/C(=C\CCCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H42O/c1-9-11-13-15-17-19(21(3,4)5)23-20(22(6,7)8)18-16-14-12-10-2/h17-18H,9-16H2,1-8H3/b19-17-,20-18-
InChIKeyCQNRHKLKNSFRBV-CLFAGFIQSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene?
The IUPAC name of (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene (CID 88711859) is (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene.
What is the SMILES notation for (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene?
The canonical SMILES for (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene is CCCCC/C=C(\O/C(=C\CCCCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene?
The InChIKey is CQNRHKLKNSFRBV-CLFAGFIQSA-N. The full InChI is InChI=1S/C22H42O/c1-9-11-13-15-17-19(21(3,4)5)23-20(22(6,7)8)18-16-14-12-10-2/h17-18H,9-16H2,1-8H3/b19-17-,20-18-.
What are the key properties of (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene?
(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene has a molecular weight of 322.58 g/mol, XLogP of 8.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene is sourced from PubChem (CID 88711859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).