2-dodecyl-2-heptyl-1,3-dioxolane

C22H44O2 — CID 89440443

IUPAC2-dodecyl-2-heptyl-1,3-dioxolane
SMILESCCCCCCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-15-17-19-22(23-20-21-24-22)18-16-14-8-6-4-2/h3-21H2,1-2H3
InChIKeyZOUYTLKSQYWNND-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.40
Rot. Bonds17

About 2-dodecyl-2-heptyl-1,3-dioxolane

2-dodecyl-2-heptyl-1,3-dioxolane (PubChem CID 89440443) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-dodecyl-2-heptyl-1,3-dioxolane.

Molecular Properties

Compound Name2-dodecyl-2-heptyl-1,3-dioxolane
PubChem CID89440443
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-dodecyl-2-heptyl-1,3-dioxolane
SMILESCCCCCCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-15-17-19-22(23-20-21-24-22)18-16-14-8-6-4-2/h3-21H2,1-2H3
InChIKeyZOUYTLKSQYWNND-UHFFFAOYSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
9-(2-hexyl-1,3-dioxolan-2-yl)non-4-yn-1-ol
CID 134971552

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-heptyl-1,3-dioxolane?
The IUPAC name of 2-dodecyl-2-heptyl-1,3-dioxolane (CID 89440443) is 2-dodecyl-2-heptyl-1,3-dioxolane.
What is the SMILES notation for 2-dodecyl-2-heptyl-1,3-dioxolane?
The canonical SMILES for 2-dodecyl-2-heptyl-1,3-dioxolane is CCCCCCCCCCCCC1(CCCCCCC)OCCO1.
What is the InChIKey of 2-dodecyl-2-heptyl-1,3-dioxolane?
The InChIKey is ZOUYTLKSQYWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-15-17-19-22(23-20-21-24-22)18-16-14-8-6-4-2/h3-21H2,1-2H3.
What are the key properties of 2-dodecyl-2-heptyl-1,3-dioxolane?
2-dodecyl-2-heptyl-1,3-dioxolane has a molecular weight of 340.59 g/mol, XLogP of 7.40, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-heptyl-1,3-dioxolane is sourced from PubChem (CID 89440443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).