4-butyl-2,2-dipropyl-1,3-dioxolane

C13H26O2 — CID 54392878

IUPAC4-butyl-2,2-dipropyl-1,3-dioxolane
SMILESCCCCC1COC(CCC)(CCC)O1
InChIInChI=1S/C13H26O2/c1-4-7-8-12-11-14-13(15-12,9-5-2)10-6-3/h12H,4-11H2,1-3H3
InChIKeyHOVBKVLFPPCFBL-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds7

About 4-butyl-2,2-dipropyl-1,3-dioxolane

4-butyl-2,2-dipropyl-1,3-dioxolane (PubChem CID 54392878) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-butyl-2,2-dipropyl-1,3-dioxolane.

Molecular Properties

Compound Name4-butyl-2,2-dipropyl-1,3-dioxolane
PubChem CID54392878
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-butyl-2,2-dipropyl-1,3-dioxolane
SMILESCCCCC1COC(CCC)(CCC)O1
InChIInChI=1S/C13H26O2/c1-4-7-8-12-11-14-13(15-12,9-5-2)10-6-3/h12H,4-11H2,1-3H3
InChIKeyHOVBKVLFPPCFBL-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(2,2-dihexyl-1,3-dioxolan-4-yl)butyl]hexan-1-amine
CID 169169928
(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
CID 142748309
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
2,2,4-tripentyl-1,3-dioxane
CID 70185089
2-[(9Z,12Z)-icosa-9,12-dienyl]-2-[(5Z,8Z)-pentadeca-5,8-dienyl]-4-propyl-1,3-dioxolane
CID 134393906
2-[2,2-bis[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 54596994
5-butyl-2,2-dipropyl-1,4-dioxane
CID 150203019
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
CID 170573008
3-[2,2-bis[(9E,12E)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylpropan-1-amine
CID 171042821
2-[2,2-bis(octadeca-9,12-dienyl)-1,3-dioxolan-4-yl]ethanol
CID 68524458
2-[2-dodecyl-2-[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]ethanamine
CID 168848863

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,2-dipropyl-1,3-dioxolane?
The IUPAC name of 4-butyl-2,2-dipropyl-1,3-dioxolane (CID 54392878) is 4-butyl-2,2-dipropyl-1,3-dioxolane.
What is the SMILES notation for 4-butyl-2,2-dipropyl-1,3-dioxolane?
The canonical SMILES for 4-butyl-2,2-dipropyl-1,3-dioxolane is CCCCC1COC(CCC)(CCC)O1.
What is the InChIKey of 4-butyl-2,2-dipropyl-1,3-dioxolane?
The InChIKey is HOVBKVLFPPCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-7-8-12-11-14-13(15-12,9-5-2)10-6-3/h12H,4-11H2,1-3H3.
What are the key properties of 4-butyl-2,2-dipropyl-1,3-dioxolane?
4-butyl-2,2-dipropyl-1,3-dioxolane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,2-dipropyl-1,3-dioxolane is sourced from PubChem (CID 54392878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).