8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene

C20H38O — CID 57167413

IUPAC8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene
SMILESC=C(CCCCCC(C)C)OC(=C)CCCCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyHKVYHNQOSAJKAL-UHFFFAOYSA-N
MW294.52 g/mol
LogP7.24
Rot. Bonds14

About 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene

8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene (PubChem CID 57167413) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene.

Molecular Properties

Compound Name8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene
PubChem CID57167413
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene
SMILESC=C(CCCCCC(C)C)OC(=C)CCCCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyHKVYHNQOSAJKAL-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 57.24
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 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene?
The IUPAC name of 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene (CID 57167413) is 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene.
What is the SMILES notation for 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene?
The canonical SMILES for 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene is C=C(CCCCCC(C)C)OC(=C)CCCCCC(C)C.
What is the InChIKey of 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene?
The InChIKey is HKVYHNQOSAJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene?
8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene has a molecular weight of 294.52 g/mol, XLogP of 7.24, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(8-methylnon-1-en-2-yloxy)non-1-ene is sourced from PubChem (CID 57167413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).