4-(methoxymethyl)heptane;propane

C12H28O — CID 168881528

IUPAC4-(methoxymethyl)heptane;propane
SMILESCCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C3H8/c1-4-6-9(7-5-2)8-10-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeySSXGDVVWZYSYHM-UHFFFAOYSA-N
MW188.35 g/mol
LogP4.27
Rot. Bonds6

About 4-(methoxymethyl)heptane;propane

4-(methoxymethyl)heptane;propane (PubChem CID 168881528) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is 4-(methoxymethyl)heptane;propane.

Molecular Properties

Compound Name4-(methoxymethyl)heptane;propane
PubChem CID168881528
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Name4-(methoxymethyl)heptane;propane
SMILESCCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C3H8/c1-4-6-9(7-5-2)8-10-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeySSXGDVVWZYSYHM-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(methoxymethyl)heptane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)heptane;propane?
The IUPAC name of 4-(methoxymethyl)heptane;propane (CID 168881528) is 4-(methoxymethyl)heptane;propane.
What is the SMILES notation for 4-(methoxymethyl)heptane;propane?
The canonical SMILES for 4-(methoxymethyl)heptane;propane is CCC.CCCC(CCC)COC.
What is the InChIKey of 4-(methoxymethyl)heptane;propane?
The InChIKey is SSXGDVVWZYSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C3H8/c1-4-6-9(7-5-2)8-10-3;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of 4-(methoxymethyl)heptane;propane?
4-(methoxymethyl)heptane;propane has a molecular weight of 188.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)heptane;propane is sourced from PubChem (CID 168881528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).