2-hexyl-2,4,5-trimethyl-1,3-dioxolane

C12H24O2 — CID 21532

IUPAC2-hexyl-2,4,5-trimethyl-1,3-dioxolane
SMILESCCCCCCC1(C)OC(C)C(C)O1
InChIInChI=1S/C12H24O2/c1-5-6-7-8-9-12(4)13-10(2)11(3)14-12/h10-11H,5-9H2,1-4H3
InChIKeyCRGQIKDUBQRGPL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds5

About 2-hexyl-2,4,5-trimethyl-1,3-dioxolane

2-hexyl-2,4,5-trimethyl-1,3-dioxolane (PubChem CID 21532) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-hexyl-2,4,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-hexyl-2,4,5-trimethyl-1,3-dioxolane
PubChem CID21532
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-hexyl-2,4,5-trimethyl-1,3-dioxolane
SMILESCCCCCCC1(C)OC(C)C(C)O1
InChIInChI=1S/C12H24O2/c1-5-6-7-8-9-12(4)13-10(2)11(3)14-12/h10-11H,5-9H2,1-4H3
InChIKeyCRGQIKDUBQRGPL-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2,4,5-trimethyl-1,3-dioxolane?
The IUPAC name of 2-hexyl-2,4,5-trimethyl-1,3-dioxolane (CID 21532) is 2-hexyl-2,4,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 2-hexyl-2,4,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 2-hexyl-2,4,5-trimethyl-1,3-dioxolane is CCCCCCC1(C)OC(C)C(C)O1.
What is the InChIKey of 2-hexyl-2,4,5-trimethyl-1,3-dioxolane?
The InChIKey is CRGQIKDUBQRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-6-7-8-9-12(4)13-10(2)11(3)14-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-hexyl-2,4,5-trimethyl-1,3-dioxolane?
2-hexyl-2,4,5-trimethyl-1,3-dioxolane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2,4,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 21532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).