2-[3-(2-methylprop-1-enoxy)propyl]oxocane

C14H26O2 — CID 176603288

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]oxocane
SMILESCC(C)=COCCCC1CCCCCCO1
InChIInChI=1S/C14H26O2/c1-13(2)12-15-10-7-9-14-8-5-3-4-6-11-16-14/h12,14H,3-11H2,1-2H3
InChIKeyXGYLMLJTMXGASA-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]oxocane

2-[3-(2-methylprop-1-enoxy)propyl]oxocane (PubChem CID 176603288) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]oxocane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]oxocane
PubChem CID176603288
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]oxocane
SMILESCC(C)=COCCCC1CCCCCCO1
InChIInChI=1S/C14H26O2/c1-13(2)12-15-10-7-9-14-8-5-3-4-6-11-16-14/h12,14H,3-11H2,1-2H3
InChIKeyXGYLMLJTMXGASA-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,8-Bis(prop-1-en-2-yloxy)nonane
CID 132078446
2-Methylprop-1-enoxycyclododecane
CID 140148322
2-Methylprop-1-enoxycyclooctane
CID 140148348
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
2-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603337
3-(2-Methylprop-1-enoxy)oxocane
CID 176603349
2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603374
4-[1-(2-Methylprop-1-enoxy)ethyl]oxocane
CID 176603572
2-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176603913

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxocane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxocane (CID 176603288) is 2-[3-(2-methylprop-1-enoxy)propyl]oxocane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]oxocane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]oxocane is CC(C)=COCCCC1CCCCCCO1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]oxocane?
The InChIKey is XGYLMLJTMXGASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)12-15-10-7-9-14-8-5-3-4-6-11-16-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]oxocane?
2-[3-(2-methylprop-1-enoxy)propyl]oxocane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]oxocane is sourced from PubChem (CID 176603288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).