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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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).