2-heptyl-2-propyl-1,3-dioxane

C14H28O2 — CID 89440265

IUPAC2-heptyl-2-propyl-1,3-dioxane
SMILESCCCCCCCC1(CCC)OCCCO1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-11-14(10-4-2)15-12-9-13-16-14/h3-13H2,1-2H3
InChIKeyKNLQTGVCJNLWTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.28
Rot. Bonds8

About 2-heptyl-2-propyl-1,3-dioxane

2-heptyl-2-propyl-1,3-dioxane (PubChem CID 89440265) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-heptyl-2-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-heptyl-2-propyl-1,3-dioxane
PubChem CID89440265
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-heptyl-2-propyl-1,3-dioxane
SMILESCCCCCCCC1(CCC)OCCCO1
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-11-14(10-4-2)15-12-9-13-16-14/h3-13H2,1-2H3
InChIKeyKNLQTGVCJNLWTG-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.28
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-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
2-hexyl-2-(2-methylpropyl)-1,3-dioxane
CID 89440656
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-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-propyl-1,3-dioxane?
The IUPAC name of 2-heptyl-2-propyl-1,3-dioxane (CID 89440265) is 2-heptyl-2-propyl-1,3-dioxane.
What is the SMILES notation for 2-heptyl-2-propyl-1,3-dioxane?
The canonical SMILES for 2-heptyl-2-propyl-1,3-dioxane is CCCCCCCC1(CCC)OCCCO1.
What is the InChIKey of 2-heptyl-2-propyl-1,3-dioxane?
The InChIKey is KNLQTGVCJNLWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-8-11-14(10-4-2)15-12-9-13-16-14/h3-13H2,1-2H3.
What are the key properties of 2-heptyl-2-propyl-1,3-dioxane?
2-heptyl-2-propyl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-propyl-1,3-dioxane is sourced from PubChem (CID 89440265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).