1-propoxy-3-(3-propoxypropoxy)propane

C12H26O3 — CID 90943526

IUPAC1-propoxy-3-(3-propoxypropoxy)propane
SMILESCCCOCCCOCCCOCCC
InChIInChI=1S/C12H26O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h3-12H2,1-2H3
InChIKeyNFTDJQBHNXLWJQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.64
Rot. Bonds12

About 1-propoxy-3-(3-propoxypropoxy)propane

1-propoxy-3-(3-propoxypropoxy)propane (PubChem CID 90943526) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-propoxy-3-(3-propoxypropoxy)propane.

Molecular Properties

Compound Name1-propoxy-3-(3-propoxypropoxy)propane
PubChem CID90943526
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-propoxy-3-(3-propoxypropoxy)propane
SMILESCCCOCCCOCCCOCCC
InChIInChI=1S/C12H26O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h3-12H2,1-2H3
InChIKeyNFTDJQBHNXLWJQ-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
pentane;1-propoxypentane
CID 174500651
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
azane;1-propoxyoctane
CID 88631627
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
ethane;propane;1-propoxypropane
CID 143757970
1-(3-octoxypropoxy)nonane
CID 123372111
bis(3-propoxypropyl) carbonate
CID 90300554
4-(4-propoxybutoxy)butan-1-amine
CID 87914116

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-3-(3-propoxypropoxy)propane?
The IUPAC name of 1-propoxy-3-(3-propoxypropoxy)propane (CID 90943526) is 1-propoxy-3-(3-propoxypropoxy)propane.
What is the SMILES notation for 1-propoxy-3-(3-propoxypropoxy)propane?
The canonical SMILES for 1-propoxy-3-(3-propoxypropoxy)propane is CCCOCCCOCCCOCCC.
What is the InChIKey of 1-propoxy-3-(3-propoxypropoxy)propane?
The InChIKey is NFTDJQBHNXLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-3-7-13-9-5-11-15-12-6-10-14-8-4-2/h3-12H2,1-2H3.
What are the key properties of 1-propoxy-3-(3-propoxypropoxy)propane?
1-propoxy-3-(3-propoxypropoxy)propane has a molecular weight of 218.34 g/mol, XLogP of 2.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-3-(3-propoxypropoxy)propane is sourced from PubChem (CID 90943526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).