4-propan-2-yl-2-propyl-1,3-dioxolane

C9H18O2 — CID 89076429

IUPAC4-propan-2-yl-2-propyl-1,3-dioxolane
SMILESCCCC1OCC(C(C)C)O1
InChIInChI=1S/C9H18O2/c1-4-5-9-10-6-8(11-9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyMFFQCOCXMRJZAF-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds3

About 4-propan-2-yl-2-propyl-1,3-dioxolane

4-propan-2-yl-2-propyl-1,3-dioxolane (PubChem CID 89076429) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-propan-2-yl-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name4-propan-2-yl-2-propyl-1,3-dioxolane
PubChem CID89076429
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-propan-2-yl-2-propyl-1,3-dioxolane
SMILESCCCC1OCC(C(C)C)O1
InChIInChI=1S/C9H18O2/c1-4-5-9-10-6-8(11-9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyMFFQCOCXMRJZAF-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentadecyl-4-propan-2-yl-1,3-dioxolane
CID 575374
2-(deuteriooxymethyl)-4-propan-2-yl-1,3-dioxolane
CID 90351100
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 13379201
(1R,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2-diol
CID 22887028
2,5-dipropyl-1,3-dioxane
CID 21043213
2-butyl-5-propan-2-yl-1,3-dioxane
CID 89076519
(1S,2S)-1-[(4S,5R)-5-hydroxy-2-propyl-1,3-dioxan-4-yl]propane-1,2,3-triol
CID 22887029
CID 59269076
CID 59269076
CID 59269207
CID 59269207
bis(2-propan-2-yl-1,3-dioxan-5-yl) butanedioate;bis(2-propyl-1,3-dioxan-5-yl) butanedioate
CID 160585639
(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
CID 139308680
(6S,8aS)-6-ethyl-2-propyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 135040662

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-propyl-1,3-dioxolane?
The IUPAC name of 4-propan-2-yl-2-propyl-1,3-dioxolane (CID 89076429) is 4-propan-2-yl-2-propyl-1,3-dioxolane.
What is the SMILES notation for 4-propan-2-yl-2-propyl-1,3-dioxolane?
The canonical SMILES for 4-propan-2-yl-2-propyl-1,3-dioxolane is CCCC1OCC(C(C)C)O1.
What is the InChIKey of 4-propan-2-yl-2-propyl-1,3-dioxolane?
The InChIKey is MFFQCOCXMRJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-9-10-6-8(11-9)7(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-propan-2-yl-2-propyl-1,3-dioxolane?
4-propan-2-yl-2-propyl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-propyl-1,3-dioxolane is sourced from PubChem (CID 89076429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).