(2,3-dibromo-5-methylhex-2-enyl) propanoate

C10H16Br2O2 — CID 91124521

IUPAC(2,3-dibromo-5-methylhex-2-enyl) propanoate
SMILESCCC(=O)OCC(Br)=C(Br)CC(C)C
InChIInChI=1S/C10H16Br2O2/c1-4-10(13)14-6-9(12)8(11)5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyZWSVINYCSMKADK-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.99
Rot. Bonds5

About (2,3-dibromo-5-methylhex-2-enyl) propanoate

(2,3-dibromo-5-methylhex-2-enyl) propanoate (PubChem CID 91124521) has the molecular formula C10H16Br2O2 and a molecular weight of 328.04 g/mol. Its IUPAC name is (2,3-dibromo-5-methylhex-2-enyl) propanoate.

Molecular Properties

Compound Name(2,3-dibromo-5-methylhex-2-enyl) propanoate
PubChem CID91124521
Molecular FormulaC10H16Br2O2
Molecular Weight328.04 g/mol
Exact Mass325.95
IUPAC Name(2,3-dibromo-5-methylhex-2-enyl) propanoate
SMILESCCC(=O)OCC(Br)=C(Br)CC(C)C
InChIInChI=1S/C10H16Br2O2/c1-4-10(13)14-6-9(12)8(11)5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyZWSVINYCSMKADK-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-5-methylhex-2-enyl) propanoate?
The IUPAC name of (2,3-dibromo-5-methylhex-2-enyl) propanoate (CID 91124521) is (2,3-dibromo-5-methylhex-2-enyl) propanoate.
What is the SMILES notation for (2,3-dibromo-5-methylhex-2-enyl) propanoate?
The canonical SMILES for (2,3-dibromo-5-methylhex-2-enyl) propanoate is CCC(=O)OCC(Br)=C(Br)CC(C)C.
What is the InChIKey of (2,3-dibromo-5-methylhex-2-enyl) propanoate?
The InChIKey is ZWSVINYCSMKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O2/c1-4-10(13)14-6-9(12)8(11)5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of (2,3-dibromo-5-methylhex-2-enyl) propanoate?
(2,3-dibromo-5-methylhex-2-enyl) propanoate has a molecular weight of 328.04 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-5-methylhex-2-enyl) propanoate is sourced from PubChem (CID 91124521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).