1,3-bis(propoxymethyl)cyclohexane

C14H28O2 — CID 70849841

IUPAC1,3-bis(propoxymethyl)cyclohexane
SMILESCCCOCC1CCCC(COCCC)C1
InChIInChI=1S/C14H28O2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h13-14H,3-12H2,1-2H3
InChIKeyZDLDNGMLOZERIX-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.65
Rot. Bonds8

About 1,3-bis(propoxymethyl)cyclohexane

1,3-bis(propoxymethyl)cyclohexane (PubChem CID 70849841) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,3-bis(propoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis(propoxymethyl)cyclohexane
PubChem CID70849841
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,3-bis(propoxymethyl)cyclohexane
SMILESCCCOCC1CCCC(COCCC)C1
InChIInChI=1S/C14H28O2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h13-14H,3-12H2,1-2H3
InChIKeyZDLDNGMLOZERIX-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.65
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 1,3-bis(propoxymethyl)cyclohexane?
The IUPAC name of 1,3-bis(propoxymethyl)cyclohexane (CID 70849841) is 1,3-bis(propoxymethyl)cyclohexane.
What is the SMILES notation for 1,3-bis(propoxymethyl)cyclohexane?
The canonical SMILES for 1,3-bis(propoxymethyl)cyclohexane is CCCOCC1CCCC(COCCC)C1.
What is the InChIKey of 1,3-bis(propoxymethyl)cyclohexane?
The InChIKey is ZDLDNGMLOZERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-8-15-11-13-6-5-7-14(10-13)12-16-9-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,3-bis(propoxymethyl)cyclohexane?
1,3-bis(propoxymethyl)cyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(propoxymethyl)cyclohexane is sourced from PubChem (CID 70849841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).