2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane

C14H26O2 — CID 150344838

IUPAC2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane
SMILESCC=COCCCC1(C)CCCOC1(C)C
InChIInChI=1S/C14H26O2/c1-5-10-15-11-6-8-14(4)9-7-12-16-13(14,2)3/h5,10H,6-9,11-12H2,1-4H3
InChIKeyGSLVTOATKLWYCG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds5

About 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane

2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane (PubChem CID 150344838) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane
PubChem CID150344838
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane
SMILESCC=COCCCC1(C)CCCOC1(C)C
InChIInChI=1S/C14H26O2/c1-5-10-15-11-6-8-14(4)9-7-12-16-13(14,2)3/h5,10H,6-9,11-12H2,1-4H3
InChIKeyGSLVTOATKLWYCG-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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'}

Analyze 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxy-2,3-dimethyl-3-(3-prop-1-enoxypropyl)oxane
CID 152128302
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604612

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane?
The IUPAC name of 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane (CID 150344838) is 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane.
What is the SMILES notation for 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane?
The canonical SMILES for 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane is CC=COCCCC1(C)CCCOC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane?
The InChIKey is GSLVTOATKLWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-10-15-11-6-8-14(4)9-7-12-16-13(14,2)3/h5,10H,6-9,11-12H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane?
2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3-prop-1-enoxypropyl)oxane is sourced from PubChem (CID 150344838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).