[(6S)-6-prop-2-enyloxan-2-yl] acetate

C10H16O3 — CID 11550112

IUPAC[(6S)-6-prop-2-enyloxan-2-yl] acetate
SMILESC=CC[C@@H]1CCCC(OC(C)=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-9-6-4-7-10(13-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3/t9-,10?/m1/s1
InChIKeyZSCYLDRGAVRDGB-YHMJZVADSA-N
MW184.23 g/mol
LogP2.02
Rot. Bonds3

About [(6S)-6-prop-2-enyloxan-2-yl] acetate

[(6S)-6-prop-2-enyloxan-2-yl] acetate (PubChem CID 11550112) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(6S)-6-prop-2-enyloxan-2-yl] acetate.

Molecular Properties

Compound Name[(6S)-6-prop-2-enyloxan-2-yl] acetate
PubChem CID11550112
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(6S)-6-prop-2-enyloxan-2-yl] acetate
SMILESC=CC[C@@H]1CCCC(OC(C)=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-9-6-4-7-10(13-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3/t9-,10?/m1/s1
InChIKeyZSCYLDRGAVRDGB-YHMJZVADSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.02
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

Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 101414137
[(1S)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134840401
[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858550
[(3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl] acetate
CID 134964272
(2S,3R,5R,6S)-6-((R)-but-3-en-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-yl acetate
CID 154731540
[(5S,6S)-1,7-dioxaspiro[5.5]undec-2-en-5-yl] acetate
CID 10608581
8-(Oxan-2-yloxy)oct-1-en-3-yl acetate
CID 11011066
[(3R)-8-(oxan-2-yloxy)oct-1-en-3-yl] acetate
CID 11807766
2-[(2S)-non-8-en-2-yl]oxyoxane
CID 68012127
2-[(2R)-non-8-en-2-yl]oxyoxane
CID 68012130
(6-Pent-3-enyloxan-2-yl) acetate
CID 69716206

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-prop-2-enyloxan-2-yl] acetate?
The IUPAC name of [(6S)-6-prop-2-enyloxan-2-yl] acetate (CID 11550112) is [(6S)-6-prop-2-enyloxan-2-yl] acetate.
What is the SMILES notation for [(6S)-6-prop-2-enyloxan-2-yl] acetate?
The canonical SMILES for [(6S)-6-prop-2-enyloxan-2-yl] acetate is C=CC[C@@H]1CCCC(OC(C)=O)O1.
What is the InChIKey of [(6S)-6-prop-2-enyloxan-2-yl] acetate?
The InChIKey is ZSCYLDRGAVRDGB-YHMJZVADSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-9-6-4-7-10(13-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3/t9-,10?/m1/s1.
What are the key properties of [(6S)-6-prop-2-enyloxan-2-yl] acetate?
[(6S)-6-prop-2-enyloxan-2-yl] acetate has a molecular weight of 184.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-prop-2-enyloxan-2-yl] acetate is sourced from PubChem (CID 11550112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).