2-heptyl-2-hexyl-1,3-dioxolane

C16H32O2 — CID 71373599

IUPAC2-heptyl-2-hexyl-1,3-dioxolane
SMILESCCCCCCCC1(CCCCCC)OCCO1
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(17-14-15-18-16)12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeySYQPYDITZKRRJH-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds11

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

2-heptyl-2-hexyl-1,3-dioxolane (PubChem CID 71373599) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-heptyl-2-hexyl-1,3-dioxolane.

Molecular Properties

Compound Name2-heptyl-2-hexyl-1,3-dioxolane
PubChem CID71373599
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-heptyl-2-hexyl-1,3-dioxolane
SMILESCCCCCCCC1(CCCCCC)OCCO1
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(17-14-15-18-16)12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeySYQPYDITZKRRJH-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
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-heptyl-2-hexyl-1,3-dioxolane?
The IUPAC name of 2-heptyl-2-hexyl-1,3-dioxolane (CID 71373599) is 2-heptyl-2-hexyl-1,3-dioxolane.
What is the SMILES notation for 2-heptyl-2-hexyl-1,3-dioxolane?
The canonical SMILES for 2-heptyl-2-hexyl-1,3-dioxolane is CCCCCCCC1(CCCCCC)OCCO1.
What is the InChIKey of 2-heptyl-2-hexyl-1,3-dioxolane?
The InChIKey is SYQPYDITZKRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-7-9-11-13-16(17-14-15-18-16)12-10-8-6-4-2/h3-15H2,1-2H3.
What are the key properties of 2-heptyl-2-hexyl-1,3-dioxolane?
2-heptyl-2-hexyl-1,3-dioxolane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-hexyl-1,3-dioxolane is sourced from PubChem (CID 71373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).