2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane

C16H30O2 — CID 3800072

IUPAC2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane
SMILESCC(C)=CCCC(C)CCCC1(C)OCC(C)O1
InChIInChI=1S/C16H30O2/c1-13(2)8-6-9-14(3)10-7-11-16(5)17-12-15(4)18-16/h8,14-15H,6-7,9-12H2,1-5H3
InChIKeyBGVNNNQAQXBIIC-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.69
Rot. Bonds7

About 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane

2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane (PubChem CID 3800072) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane
PubChem CID3800072
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane
SMILESCC(C)=CCCC(C)CCCC1(C)OCC(C)O1
InChIInChI=1S/C16H30O2/c1-13(2)8-6-9-14(3)10-7-11-16(5)17-12-15(4)18-16/h8,14-15H,6-7,9-12H2,1-5H3
InChIKeyBGVNNNQAQXBIIC-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.69
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 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane?
The IUPAC name of 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane (CID 3800072) is 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane is CC(C)=CCCC(C)CCCC1(C)OCC(C)O1.
What is the InChIKey of 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane?
The InChIKey is BGVNNNQAQXBIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)8-6-9-14(3)10-7-11-16(5)17-12-15(4)18-16/h8,14-15H,6-7,9-12H2,1-5H3.
What are the key properties of 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane?
2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane has a molecular weight of 254.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-7-enyl)-2,4-dimethyl-1,3-dioxolane is sourced from PubChem (CID 3800072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).