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

C10H14O3 — CID 101107557

IUPAC[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=CC[C@@H]1C=C[C@H](OC(C)=O)CO1
InChIInChI=1S/C10H14O3/c1-3-4-9-5-6-10(7-12-9)13-8(2)11/h3,5-6,9-10H,1,4,7H2,2H3/t9-,10+/m1/s1
InChIKeySMBBYQFMDCGHNN-ZJUUUORDSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds3

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

[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 101107557) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID101107557
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=CC[C@@H]1C=C[C@H](OC(C)=O)CO1
InChIInChI=1S/C10H14O3/c1-3-4-9-5-6-10(7-12-9)13-8(2)11/h3,5-6,9-10H,1,4,7H2,2H3/t9-,10+/m1/s1
InChIKeySMBBYQFMDCGHNN-ZJUUUORDSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate
CID 14604665
[(3S,6R)-6-(2,4-dioxopentan-3-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11770552
[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
CID 25139109
[(3S,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102226049
[(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
(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxane-2-carboxylic acid
CID 170073091
[(1S,4S)-4-fluorocyclohex-2-en-1-yl] acetate
CID 102038901
[(2R,3R,6S)-3-hydroxy-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 25170494
[(3R,6S)-6-(phenylmethoxycarbonylamino)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102074961
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] acetate
CID 158066994
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate (CID 101107557) is [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate is C=CC[C@@H]1C=C[C@H](OC(C)=O)CO1.
What is the InChIKey of [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is SMBBYQFMDCGHNN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-9-5-6-10(7-12-9)13-8(2)11/h3,5-6,9-10H,1,4,7H2,2H3/t9-,10+/m1/s1.
What are the key properties of [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
[(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 182.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 101107557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).