4-heptan-3-yl-5-propan-2-yl-1,3-dioxole

C13H24O2 — CID 170312233

IUPAC4-heptan-3-yl-5-propan-2-yl-1,3-dioxole
SMILESCCCCC(CC)C1=C(C(C)C)OCO1
InChIInChI=1S/C13H24O2/c1-5-7-8-11(6-2)13-12(10(3)4)14-9-15-13/h10-11H,5-9H2,1-4H3
InChIKeyHWVUGHYTLAGHKJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.07
Rot. Bonds6

About 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole

4-heptan-3-yl-5-propan-2-yl-1,3-dioxole (PubChem CID 170312233) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole.

Molecular Properties

Compound Name4-heptan-3-yl-5-propan-2-yl-1,3-dioxole
PubChem CID170312233
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-heptan-3-yl-5-propan-2-yl-1,3-dioxole
SMILESCCCCC(CC)C1=C(C(C)C)OCO1
InChIInChI=1S/C13H24O2/c1-5-7-8-11(6-2)13-12(10(3)4)14-9-15-13/h10-11H,5-9H2,1-4H3
InChIKeyHWVUGHYTLAGHKJ-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran
CID 143716422
dibutyl-ethyl-methylphosphanium
CID 58444360
hexan-2-yl(trimethyl)silane
CID 12712779
calcium;hydride;3-methylheptane
CID 174879723
5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
CID 177141160
1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61324179
1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
CID 90385119
heptan-3-ylbenzene;methane
CID 159006232
5,6,14,15-tetramethylnonadecane
CID 123473711
5-heptan-3-yl-2,3-dihydrothiophene
CID 100984300

Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole?
The IUPAC name of 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole (CID 170312233) is 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole.
What is the SMILES notation for 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole?
The canonical SMILES for 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole is CCCCC(CC)C1=C(C(C)C)OCO1.
What is the InChIKey of 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole?
The InChIKey is HWVUGHYTLAGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-8-11(6-2)13-12(10(3)4)14-9-15-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole?
4-heptan-3-yl-5-propan-2-yl-1,3-dioxole has a molecular weight of 212.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-5-propan-2-yl-1,3-dioxole is sourced from PubChem (CID 170312233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).