[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate

C15H26O4 — CID 11807766

IUPAC[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCCCOC1CCCCO1)OC(C)=O
InChIInChI=1S/C15H26O4/c1-3-14(19-13(2)16)9-5-4-7-11-17-15-10-6-8-12-18-15/h3,14-15H,1,4-12H2,2H3/t14-,15?/m0/s1
InChIKeyLYYPQKMRVPXZNE-MLCCFXAWSA-N
MW270.37 g/mol
LogP3.21
Rot. Bonds9

About [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate

[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate (PubChem CID 11807766) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate
PubChem CID11807766
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCCCOC1CCCCO1)OC(C)=O
InChIInChI=1S/C15H26O4/c1-3-14(19-13(2)16)9-5-4-7-11-17-15-10-6-8-12-18-15/h3,14-15H,1,4-12H2,2H3/t14-,15?/m0/s1
InChIKeyLYYPQKMRVPXZNE-MLCCFXAWSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.21
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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Related Compounds

2-Oct-1-en-3-yloxyoxane
CID 10727282
Lithium 2-oct-1-en-3-yloxyoxane
CID 12838006
6,7-dideoxy-1,2,3,4-tetraacetate-L-galacto-hept-6-enopyranose
CID 58013660
2-(4-Fluorooct-1-en-3-yloxy)oxane
CID 173439621
6-(Oxan-2-yloxy)hex-1-en-4-yn-3-yl acetate
CID 20550293
[1-(1,3-Dioxan-2-yl)-4-methylidenehexan-3-yl] acetate
CID 14173485
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 101414137
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
CID 134840285
[(1S)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134840401
[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858504
[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858550
[(1S)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858858

Frequently Asked Questions

What is the IUPAC name of [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate?
The IUPAC name of [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate (CID 11807766) is [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate.
What is the SMILES notation for [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate?
The canonical SMILES for [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate is C=C[C@@H](CCCCCOC1CCCCO1)OC(C)=O.
What is the InChIKey of [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate?
The InChIKey is LYYPQKMRVPXZNE-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-14(19-13(2)16)9-5-4-7-11-17-15-10-6-8-12-18-15/h3,14-15H,1,4-12H2,2H3/t14-,15?/m0/s1.
What are the key properties of [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate?
[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate has a molecular weight of 270.37 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate is sourced from PubChem (CID 11807766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).