2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane

C13H24O4 — CID 101148003

IUPAC2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
SMILESCC(CCCCCC1OCCO1)C1OCCO1
InChIInChI=1S/C13H24O4/c1-11(13-16-9-10-17-13)5-3-2-4-6-12-14-7-8-15-12/h11-13H,2-10H2,1H3
InChIKeyQLVYKJLTKFJYBB-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.32
Rot. Bonds7

About 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane

2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane (PubChem CID 101148003) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
PubChem CID101148003
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
SMILESCC(CCCCCC1OCCO1)C1OCCO1
InChIInChI=1S/C13H24O4/c1-11(13-16-9-10-17-13)5-3-2-4-6-12-14-7-8-15-12/h11-13H,2-10H2,1H3
InChIKeyQLVYKJLTKFJYBB-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.32
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

5-(1,3-dioxolan-2-yl)pentane-1-thiol
CID 154809639
2-(9-iodononyl)-1,3-dioxolane
CID 10496328
2-(4-chlorobutyl)-1,3-dioxolane
CID 5163683
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
8-(1,3-dioxolan-2-yl)octyl-triphenylphosphanium
CID 58070076
5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
CID 101498477
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
6-(1,3-dioxolan-2-yl)hexanal
CID 13164762
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560915
bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822226
2-methyl-8-(oxiran-2-yl)octanal
CID 101153303
azane;8-(1,3,5-trioxan-2-yl)nonanoic acid
CID 174910386

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane (CID 101148003) is 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane is CC(CCCCCC1OCCO1)C1OCCO1.
What is the InChIKey of 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The InChIKey is QLVYKJLTKFJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-11(13-16-9-10-17-13)5-3-2-4-6-12-14-7-8-15-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane has a molecular weight of 244.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 101148003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).