2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane

C18H34O3 — CID 130348635

IUPAC2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane
SMILESC/C=C\OC(CC)C(C)OC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C18H34O3/c1-8-11-19-17(10-3)15(7)20-18-14(6)12(4)13(5)16(9-2)21-18/h8,11-18H,9-10H2,1-7H3/b11-8-
InChIKeyOKXVQAXYHTVMBO-FLIBITNWSA-N
MW298.47 g/mol
LogP4.76
Rot. Bonds7

About 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane

2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane (PubChem CID 130348635) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane
PubChem CID130348635
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane
SMILESC/C=C\OC(CC)C(C)OC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C18H34O3/c1-8-11-19-17(10-3)15(7)20-18-14(6)12(4)13(5)16(9-2)21-18/h8,11-18H,9-10H2,1-7H3/b11-8-
InChIKeyOKXVQAXYHTVMBO-FLIBITNWSA-N
XLogP4.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane?
The IUPAC name of 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane (CID 130348635) is 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane?
The canonical SMILES for 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane is C/C=C\OC(CC)C(C)OC1OC(CC)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane?
The InChIKey is OKXVQAXYHTVMBO-FLIBITNWSA-N. The full InChI is InChI=1S/C18H34O3/c1-8-11-19-17(10-3)15(7)20-18-14(6)12(4)13(5)16(9-2)21-18/h8,11-18H,9-10H2,1-7H3/b11-8-.
What are the key properties of 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane?
2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane has a molecular weight of 298.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane is sourced from PubChem (CID 130348635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).