[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate

C18H28O4 — CID 71818670

IUPAC[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESC=CCC[C@H](C)OC(=O)C[C@H]1O[C@H](CC=C)C=C[C@@H]1OCC
InChIInChI=1S/C18H28O4/c1-5-8-10-14(4)21-18(19)13-17-16(20-7-3)12-11-15(22-17)9-6-2/h5-6,11-12,14-17H,1-2,7-10,13H2,3-4H3/t14-,15+,16-,17+/m0/s1
InChIKeyRNLOVUQWAMQGJB-VVLHAWIVSA-N
MW308.42 g/mol
LogP3.58
Rot. Bonds10

About [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate

[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate (PubChem CID 71818670) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate.

Molecular Properties

Compound Name[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate
PubChem CID71818670
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESC=CCC[C@H](C)OC(=O)C[C@H]1O[C@H](CC=C)C=C[C@@H]1OCC
InChIInChI=1S/C18H28O4/c1-5-8-10-14(4)21-18(19)13-17-16(20-7-3)12-11-15(22-17)9-6-2/h5-6,11-12,14-17H,1-2,7-10,13H2,3-4H3/t14-,15+,16-,17+/m0/s1
InChIKeyRNLOVUQWAMQGJB-VVLHAWIVSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hex-5-en-2-yl 2-iodoacetate
CID 11065424
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155760043
[(2R,3S,6R)-3-(2,2-dimethylpropanoyloxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 11782724
[(2R,3S,6R)-6-prop-2-enyl-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11071618
butan-2-yl pent-4-enoate
CID 58193499
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
[(2S)-hept-6-en-2-yl] 2-diphenoxyphosphorylacetate
CID 102260491
[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 101107557
(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate
CID 14604665
[(2R,3R,6S)-3-hydroxy-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 25170494
ethyl 2-[(2S,3S,6S)-6-[(E,6S)-6-acetyloxyhept-1-enyl]-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetate
CID 56851496
3-oxo-3-undec-10-en-2-yloxypropanoic acid
CID 54309534

Frequently Asked Questions

What is the IUPAC name of [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate?
The IUPAC name of [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate (CID 71818670) is [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate.
What is the SMILES notation for [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate?
The canonical SMILES for [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate is C=CCC[C@H](C)OC(=O)C[C@H]1O[C@H](CC=C)C=C[C@@H]1OCC.
What is the InChIKey of [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate?
The InChIKey is RNLOVUQWAMQGJB-VVLHAWIVSA-N. The full InChI is InChI=1S/C18H28O4/c1-5-8-10-14(4)21-18(19)13-17-16(20-7-3)12-11-15(22-17)9-6-2/h5-6,11-12,14-17H,1-2,7-10,13H2,3-4H3/t14-,15+,16-,17+/m0/s1.
What are the key properties of [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate?
[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate has a molecular weight of 308.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate is sourced from PubChem (CID 71818670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).