5,7-bis(3-chloroprop-2-enyl)undecan-6-one

C17H28Cl2O — CID 173405272

IUPAC5,7-bis(3-chloroprop-2-enyl)undecan-6-one
SMILESCCCCC(CC=CCl)C(=O)C(CC=CCl)CCCC
InChIInChI=1S/C17H28Cl2O/c1-3-5-9-15(11-7-13-18)17(20)16(10-6-4-2)12-8-14-19/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyQRFNXSIHYRONKA-UHFFFAOYSA-N
MW319.32 g/mol
LogP6.45
Rot. Bonds12

About 5,7-bis(3-chloroprop-2-enyl)undecan-6-one

5,7-bis(3-chloroprop-2-enyl)undecan-6-one (PubChem CID 173405272) has the molecular formula C17H28Cl2O and a molecular weight of 319.32 g/mol. Its IUPAC name is 5,7-bis(3-chloroprop-2-enyl)undecan-6-one.

Molecular Properties

Compound Name5,7-bis(3-chloroprop-2-enyl)undecan-6-one
PubChem CID173405272
Molecular FormulaC17H28Cl2O
Molecular Weight319.32 g/mol
Exact Mass318.15
IUPAC Name5,7-bis(3-chloroprop-2-enyl)undecan-6-one
SMILESCCCCC(CC=CCl)C(=O)C(CC=CCl)CCCC
InChIInChI=1S/C17H28Cl2O/c1-3-5-9-15(11-7-13-18)17(20)16(10-6-4-2)12-8-14-19/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyQRFNXSIHYRONKA-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.32
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(3-chloroprop-2-enyl)undecan-6-one?
The IUPAC name of 5,7-bis(3-chloroprop-2-enyl)undecan-6-one (CID 173405272) is 5,7-bis(3-chloroprop-2-enyl)undecan-6-one.
What is the SMILES notation for 5,7-bis(3-chloroprop-2-enyl)undecan-6-one?
The canonical SMILES for 5,7-bis(3-chloroprop-2-enyl)undecan-6-one is CCCCC(CC=CCl)C(=O)C(CC=CCl)CCCC.
What is the InChIKey of 5,7-bis(3-chloroprop-2-enyl)undecan-6-one?
The InChIKey is QRFNXSIHYRONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2O/c1-3-5-9-15(11-7-13-18)17(20)16(10-6-4-2)12-8-14-19/h7-8,13-16H,3-6,9-12H2,1-2H3.
What are the key properties of 5,7-bis(3-chloroprop-2-enyl)undecan-6-one?
5,7-bis(3-chloroprop-2-enyl)undecan-6-one has a molecular weight of 319.32 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(3-chloroprop-2-enyl)undecan-6-one is sourced from PubChem (CID 173405272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).