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

C11H16O3 — CID 134854496

IUPAC[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=CCC1C=C[C@@H](OC(C)=O)[C@H](C)O1
InChIInChI=1S/C11H16O3/c1-4-5-10-6-7-11(8(2)13-10)14-9(3)12/h4,6-8,10-11H,1,5H2,2-3H3/t8-,10?,11+/m0/s1
InChIKeyYYQUYDARQNUCRP-UMYMBVSISA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds3

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

[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 134854496) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID134854496
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESC=CCC1C=C[C@@H](OC(C)=O)[C@H](C)O1
InChIInChI=1S/C11H16O3/c1-4-5-10-6-7-11(8(2)13-10)14-9(3)12/h4,6-8,10-11H,1,5H2,2-3H3/t8-,10?,11+/m0/s1
InChIKeyYYQUYDARQNUCRP-UMYMBVSISA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
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

2-Hexenyl propionate, (2E)-
CID 5352463
2-Heptenyl acetate, (2E)-
CID 5363203
Parasorbic acid
CID 441575
Nonadienyl acetate, (2E,6Z)-
CID 5363120
2,7-Octadien-1-ol, acetate
CID 5363376
6-methyl-5,6-dihydro-2H-pyran-2-one
CID 24869
(2E,6E)-Nona-2,6-dienyl acetate
CID 6437117
(2E,6Z)-Octa-2,6-dienyl acetate
CID 20836240
2-(Prop-2-enoxymethyl)-2,3-dihydropyran-6-one
CID 12213804
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
Hept-2-EN-1-YL acetate
CID 85649
2,6-Nonadien-1-ol, acetate, (2E,6E)-
CID 105537

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate (CID 134854496) is [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate is C=CCC1C=C[C@@H](OC(C)=O)[C@H](C)O1.
What is the InChIKey of [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is YYQUYDARQNUCRP-UMYMBVSISA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-10-6-7-11(8(2)13-10)14-9(3)12/h4,6-8,10-11H,1,5H2,2-3H3/t8-,10?,11+/m0/s1.
What are the key properties of [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate?
[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 196.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 134854496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).