2-(5-ethylnonan-3-yl)-1,3-dioxolane

C14H28O2 — CID 15765966

IUPAC2-(5-ethylnonan-3-yl)-1,3-dioxolane
SMILESCCCCC(CC)CC(CC)C1OCCO1
InChIInChI=1S/C14H28O2/c1-4-7-8-12(5-2)11-13(6-3)14-15-9-10-16-14/h12-14H,4-11H2,1-3H3
InChIKeySGZYAOWXHNKXGJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.99
Rot. Bonds8

About 2-(5-ethylnonan-3-yl)-1,3-dioxolane

2-(5-ethylnonan-3-yl)-1,3-dioxolane (PubChem CID 15765966) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(5-ethylnonan-3-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-ethylnonan-3-yl)-1,3-dioxolane
PubChem CID15765966
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(5-ethylnonan-3-yl)-1,3-dioxolane
SMILESCCCCC(CC)CC(CC)C1OCCO1
InChIInChI=1S/C14H28O2/c1-4-7-8-12(5-2)11-13(6-3)14-15-9-10-16-14/h12-14H,4-11H2,1-3H3
InChIKeySGZYAOWXHNKXGJ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2-heptyl-
CID 78067
Hydroxycitronellal propyleneglycol acetal
CID 2839751
1,3-Dioxolane, 2-(1-ethylpentyl)-
CID 107271
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
1,1-Diethoxyisooctane
CID 112252
2-n-Nonyl-1,3-dioxolane
CID 78056
2-(2-Methylhexyl)-1,3-dioxolane
CID 11970893
(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol
CID 42601253
2-Octyl-1,3-dioxolane
CID 79486
2-Cyclohexyl-1,3-dioxolane
CID 292653
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
1,3-Dioxolane, 2-isoheptyl-
CID 110049

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylnonan-3-yl)-1,3-dioxolane?
The IUPAC name of 2-(5-ethylnonan-3-yl)-1,3-dioxolane (CID 15765966) is 2-(5-ethylnonan-3-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-ethylnonan-3-yl)-1,3-dioxolane?
The canonical SMILES for 2-(5-ethylnonan-3-yl)-1,3-dioxolane is CCCCC(CC)CC(CC)C1OCCO1.
What is the InChIKey of 2-(5-ethylnonan-3-yl)-1,3-dioxolane?
The InChIKey is SGZYAOWXHNKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-8-12(5-2)11-13(6-3)14-15-9-10-16-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(5-ethylnonan-3-yl)-1,3-dioxolane?
2-(5-ethylnonan-3-yl)-1,3-dioxolane has a molecular weight of 228.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylnonan-3-yl)-1,3-dioxolane is sourced from PubChem (CID 15765966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).