2-dodecan-5-yl-1,3-dioxane

C16H32O2 — CID 174238614

IUPAC2-dodecan-5-yl-1,3-dioxane
SMILESCCCCCCCC(CCCC)C1OCCCO1
InChIInChI=1S/C16H32O2/c1-3-5-7-8-9-12-15(11-6-4-2)16-17-13-10-14-18-16/h15-16H,3-14H2,1-2H3
InChIKeyQQHWDKJSEUZOEF-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.92
Rot. Bonds10

About 2-dodecan-5-yl-1,3-dioxane

2-dodecan-5-yl-1,3-dioxane (PubChem CID 174238614) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-dodecan-5-yl-1,3-dioxane.

Molecular Properties

Compound Name2-dodecan-5-yl-1,3-dioxane
PubChem CID174238614
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-dodecan-5-yl-1,3-dioxane
SMILESCCCCCCCC(CCCC)C1OCCCO1
InChIInChI=1S/C16H32O2/c1-3-5-7-8-9-12-15(11-6-4-2)16-17-13-10-14-18-16/h15-16H,3-14H2,1-2H3
InChIKeyQQHWDKJSEUZOEF-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.92
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-heptan-3-yl-1,3-dioxepane
CID 71392815
2-heptan-4-yl-1,3-dioxolane
CID 57255481
undecan-5-ylcyclohexane
CID 524419
3-undecan-5-yldioxolane
CID 88733084
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
3-tridecan-7-yloxetane
CID 130235812
hexadecan-8-ylcyclohexane
CID 91510029
tributyl(1,3-dioxan-2-ylmethyl)phosphanium bromide
CID 18705686
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
3-octadecan-8-yloxolane-2,5-dione
CID 150546786
4-(1,3-dioxolan-2-yl)heptane-1,7-diol
CID 134273656

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-5-yl-1,3-dioxane?
The IUPAC name of 2-dodecan-5-yl-1,3-dioxane (CID 174238614) is 2-dodecan-5-yl-1,3-dioxane.
What is the SMILES notation for 2-dodecan-5-yl-1,3-dioxane?
The canonical SMILES for 2-dodecan-5-yl-1,3-dioxane is CCCCCCCC(CCCC)C1OCCCO1.
What is the InChIKey of 2-dodecan-5-yl-1,3-dioxane?
The InChIKey is QQHWDKJSEUZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-7-8-9-12-15(11-6-4-2)16-17-13-10-14-18-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-dodecan-5-yl-1,3-dioxane?
2-dodecan-5-yl-1,3-dioxane has a molecular weight of 256.43 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-5-yl-1,3-dioxane is sourced from PubChem (CID 174238614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).