2-methyl-1,3-dipropoxypropane

C10H22O2 — CID 59269393

IUPAC2-methyl-1,3-dipropoxypropane
SMILESCCCOCC(C)COCCC
InChIInChI=1S/C10H22O2/c1-4-6-11-8-10(3)9-12-7-5-2/h10H,4-9H2,1-3H3
InChIKeySIWMBFPZQRYWLS-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds8

About 2-methyl-1,3-dipropoxypropane

2-methyl-1,3-dipropoxypropane (PubChem CID 59269393) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-methyl-1,3-dipropoxypropane.

Molecular Properties

Compound Name2-methyl-1,3-dipropoxypropane
PubChem CID59269393
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-methyl-1,3-dipropoxypropane
SMILESCCCOCC(C)COCCC
InChIInChI=1S/C10H22O2/c1-4-6-11-8-10(3)9-12-7-5-2/h10H,4-9H2,1-3H3
InChIKeySIWMBFPZQRYWLS-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dipropoxypropane?
The IUPAC name of 2-methyl-1,3-dipropoxypropane (CID 59269393) is 2-methyl-1,3-dipropoxypropane.
What is the SMILES notation for 2-methyl-1,3-dipropoxypropane?
The canonical SMILES for 2-methyl-1,3-dipropoxypropane is CCCOCC(C)COCCC.
What is the InChIKey of 2-methyl-1,3-dipropoxypropane?
The InChIKey is SIWMBFPZQRYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-6-11-8-10(3)9-12-7-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1,3-dipropoxypropane?
2-methyl-1,3-dipropoxypropane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dipropoxypropane is sourced from PubChem (CID 59269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).