1,3-dioxolan-2-one;heptan-2-one

C10H18O4 — CID 160775913

IUPAC1,3-dioxolan-2-one;heptan-2-one
SMILESCCCCCC(C)=O.O=C1OCCO1
InChIInChI=1S/C7H14O.C3H4O3/c1-3-4-5-6-7(2)8;4-3-5-1-2-6-3/h3-6H2,1-2H3;1-2H2
InChIKeyRZYBAYAQKCAYII-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.31
Rot. Bonds4

About 1,3-dioxolan-2-one;heptan-2-one

1,3-dioxolan-2-one;heptan-2-one (PubChem CID 160775913) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;heptan-2-one.

Molecular Properties

Compound Name1,3-dioxolan-2-one;heptan-2-one
PubChem CID160775913
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1,3-dioxolan-2-one;heptan-2-one
SMILESCCCCCC(C)=O.O=C1OCCO1
InChIInChI=1S/C7H14O.C3H4O3/c1-3-4-5-6-7(2)8;4-3-5-1-2-6-3/h3-6H2,1-2H3;1-2H2
InChIKeyRZYBAYAQKCAYII-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioxolan-2-one;heptane
CID 174901470
cyclohexane;heptan-2-one
CID 159731064
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496
methanol;octan-2-one
CID 158579665
octan-2-one;platinum
CID 174910160
methane;octan-2-one
CID 159061487
nickel;octan-2-one
CID 174810035

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;heptan-2-one?
The IUPAC name of 1,3-dioxolan-2-one;heptan-2-one (CID 160775913) is 1,3-dioxolan-2-one;heptan-2-one.
What is the SMILES notation for 1,3-dioxolan-2-one;heptan-2-one?
The canonical SMILES for 1,3-dioxolan-2-one;heptan-2-one is CCCCCC(C)=O.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;heptan-2-one?
The InChIKey is RZYBAYAQKCAYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H4O3/c1-3-4-5-6-7(2)8;4-3-5-1-2-6-3/h3-6H2,1-2H3;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;heptan-2-one?
1,3-dioxolan-2-one;heptan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;heptan-2-one is sourced from PubChem (CID 160775913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).