1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane

C14H26O4 — CID 102036638

IUPAC1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane
SMILESC=C1CC1OCCCOCCCOCCCOC
InChIInChI=1S/C14H26O4/c1-13-12-14(13)18-11-5-10-17-9-4-8-16-7-3-6-15-2/h14H,1,3-12H2,2H3
InChIKeySLVKZIFYWVHJNI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.18
Rot. Bonds13

About 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane

1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane (PubChem CID 102036638) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane
PubChem CID102036638
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane
SMILESC=C1CC1OCCCOCCCOCCCOC
InChIInChI=1S/C14H26O4/c1-13-12-14(13)18-11-5-10-17-9-4-8-16-7-3-6-15-2/h14H,1,3-12H2,2H3
InChIKeySLVKZIFYWVHJNI-UHFFFAOYSA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane?
The IUPAC name of 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane (CID 102036638) is 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane.
What is the SMILES notation for 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane?
The canonical SMILES for 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane is C=C1CC1OCCCOCCCOCCCOC.
What is the InChIKey of 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane?
The InChIKey is SLVKZIFYWVHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-13-12-14(13)18-11-5-10-17-9-4-8-16-7-3-6-15-2/h14H,1,3-12H2,2H3.
What are the key properties of 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane?
1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane has a molecular weight of 258.36 g/mol, XLogP of 2.18, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-2-methylidenecyclopropane is sourced from PubChem (CID 102036638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).