1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one

C15H28O3 — CID 21301805

IUPAC1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCCCCCCCCCC1(CC(C)=O)OCCO1
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h3-13H2,1-2H3
InChIKeyHBKPSHNMYFFXMY-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.85
Rot. Bonds10

About 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one

1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one (PubChem CID 21301805) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
PubChem CID21301805
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
SMILESCCCCCCCCCC1(CC(C)=O)OCCO1
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h3-13H2,1-2H3
InChIKeyHBKPSHNMYFFXMY-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
CID 167558063
methane;methyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
CID 167660733
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
1-(2-ethyl-1,3-dioxolan-2-yl)propan-2-one
CID 178148401
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-heptyl-2-propyl-1,3-dioxane
CID 89440265

Frequently Asked Questions

What is the IUPAC name of 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one?
The IUPAC name of 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one (CID 21301805) is 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one is CCCCCCCCCC1(CC(C)=O)OCCO1.
What is the InChIKey of 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one?
The InChIKey is HBKPSHNMYFFXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-15(13-14(2)16)17-11-12-18-15/h3-13H2,1-2H3.
What are the key properties of 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one?
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one has a molecular weight of 256.39 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one is sourced from PubChem (CID 21301805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).