(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate

C10H14O3 — CID 14604665

IUPAC(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate
SMILESC=CCC1C=CC(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
InChIKeySMBBYQFMDCGHNN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds3

About (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate

(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate (PubChem CID 14604665) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate.

Molecular Properties

Compound Name(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate
PubChem CID14604665
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate
SMILESC=CCC1C=CC(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
InChIKeySMBBYQFMDCGHNN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate?
The IUPAC name of (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate (CID 14604665) is (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate.
What is the SMILES notation for (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate?
The canonical SMILES for (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate is C=CCC1C=CC(OC(C)=O)CO1.
What is the InChIKey of (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate?
The InChIKey is SMBBYQFMDCGHNN-UHFFFAOYSA-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.
What are the key properties of (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate?
(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 (6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl) acetate is sourced from PubChem (CID 14604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).