6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one

C16H26O2 — CID 70521060

IUPAC6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one
SMILESCC(C)=CCC(CC=C(C)C)C1CCCC(=O)O1
InChIInChI=1S/C16H26O2/c1-12(2)8-10-14(11-9-13(3)4)15-6-5-7-16(17)18-15/h8-9,14-15H,5-7,10-11H2,1-4H3
InChIKeyNNAVUFNUOPUSRH-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.41
Rot. Bonds5

About 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one

6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one (PubChem CID 70521060) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one.

Molecular Properties

Compound Name6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one
PubChem CID70521060
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one
SMILESCC(C)=CCC(CC=C(C)C)C1CCCC(=O)O1
InChIInChI=1S/C16H26O2/c1-12(2)8-10-14(11-9-13(3)4)15-6-5-7-16(17)18-15/h8-9,14-15H,5-7,10-11H2,1-4H3
InChIKeyNNAVUFNUOPUSRH-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one?
The IUPAC name of 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one (CID 70521060) is 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one.
What is the SMILES notation for 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one?
The canonical SMILES for 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one is CC(C)=CCC(CC=C(C)C)C1CCCC(=O)O1.
What is the InChIKey of 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one?
The InChIKey is NNAVUFNUOPUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(2)8-10-14(11-9-13(3)4)15-6-5-7-16(17)18-15/h8-9,14-15H,5-7,10-11H2,1-4H3.
What are the key properties of 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one?
6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylnona-2,7-dien-5-yl)oxan-2-one is sourced from PubChem (CID 70521060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).