2-heptan-3-yl-4-methyl-1,3-dioxolane

C11H22O2 — CID 3737523

IUPAC2-heptan-3-yl-4-methyl-1,3-dioxolane
SMILESCCCCC(CC)C1OCC(C)O1
InChIInChI=1S/C11H22O2/c1-4-6-7-10(5-2)11-12-8-9(3)13-11/h9-11H,4-8H2,1-3H3
InChIKeyLCLAMHROTUWUDE-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds5

About 2-heptan-3-yl-4-methyl-1,3-dioxolane

2-heptan-3-yl-4-methyl-1,3-dioxolane (PubChem CID 3737523) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-heptan-3-yl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-heptan-3-yl-4-methyl-1,3-dioxolane
PubChem CID3737523
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-heptan-3-yl-4-methyl-1,3-dioxolane
SMILESCCCCC(CC)C1OCC(C)O1
InChIInChI=1S/C11H22O2/c1-4-6-7-10(5-2)11-12-8-9(3)13-11/h9-11H,4-8H2,1-3H3
InChIKeyLCLAMHROTUWUDE-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-4-methyl-1,3-dioxolane?
The IUPAC name of 2-heptan-3-yl-4-methyl-1,3-dioxolane (CID 3737523) is 2-heptan-3-yl-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-heptan-3-yl-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-heptan-3-yl-4-methyl-1,3-dioxolane is CCCCC(CC)C1OCC(C)O1.
What is the InChIKey of 2-heptan-3-yl-4-methyl-1,3-dioxolane?
The InChIKey is LCLAMHROTUWUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-10(5-2)11-12-8-9(3)13-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-heptan-3-yl-4-methyl-1,3-dioxolane?
2-heptan-3-yl-4-methyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 3737523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).