1,3-dioxolan-2-one;heptane

C10H20O3 — CID 174901470

IUPAC1,3-dioxolan-2-one;heptane
SMILESCCCCCCC.O=C1OCCO1
InChIInChI=1S/C7H16.C3H4O3/c1-3-5-7-6-4-2;4-3-5-1-2-6-3/h3-7H2,1-2H3;1-2H2
InChIKeyKKDBISOFSXTXHZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds4

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

1,3-dioxolan-2-one;heptane (PubChem CID 174901470) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;heptane.

Molecular Properties

Compound Name1,3-dioxolan-2-one;heptane
PubChem CID174901470
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,3-dioxolan-2-one;heptane
SMILESCCCCCCC.O=C1OCCO1
InChIInChI=1S/C7H16.C3H4O3/c1-3-5-7-6-4-2;4-3-5-1-2-6-3/h3-7H2,1-2H3;1-2H2
InChIKeyKKDBISOFSXTXHZ-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.13
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

1,3-dioxolan-2-one;heptan-2-one
CID 160775913
1,3-dioxolan-2-one;ethane;propane
CID 91581016
1,4-dioxane;tetradecane
CID 159034856
trilithium;1,3-dioxolan-2-one;phosphate
CID 174955096
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
1,3-dioxolan-2-one;4-methyl-1,3-dioxolan-2-one;pentyl acetate
CID 175300180
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;heptane?
The IUPAC name of 1,3-dioxolan-2-one;heptane (CID 174901470) is 1,3-dioxolan-2-one;heptane.
What is the SMILES notation for 1,3-dioxolan-2-one;heptane?
The canonical SMILES for 1,3-dioxolan-2-one;heptane is CCCCCCC.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;heptane?
The InChIKey is KKDBISOFSXTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H4O3/c1-3-5-7-6-4-2;4-3-5-1-2-6-3/h3-7H2,1-2H3;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;heptane?
1,3-dioxolan-2-one;heptane has a molecular weight of 188.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;heptane is sourced from PubChem (CID 174901470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).