(Z)-6-bromo-5-butyldec-5-en-2-one

C14H25BrO — CID 101186070

IUPAC(Z)-6-bromo-5-butyldec-5-en-2-one
SMILESCCCC/C(Br)=C(\CCCC)CCC(C)=O
InChIInChI=1S/C14H25BrO/c1-4-6-8-13(11-10-12(3)16)14(15)9-7-5-2/h4-11H2,1-3H3/b14-13-
InChIKeyMUDPIXGMOKPROX-YPKPFQOOSA-N
MW289.26 g/mol
LogP5.39
Rot. Bonds9

About (Z)-6-bromo-5-butyldec-5-en-2-one

(Z)-6-bromo-5-butyldec-5-en-2-one (PubChem CID 101186070) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is (Z)-6-bromo-5-butyldec-5-en-2-one.

Molecular Properties

Compound Name(Z)-6-bromo-5-butyldec-5-en-2-one
PubChem CID101186070
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name(Z)-6-bromo-5-butyldec-5-en-2-one
SMILESCCCC/C(Br)=C(\CCCC)CCC(C)=O
InChIInChI=1S/C14H25BrO/c1-4-6-8-13(11-10-12(3)16)14(15)9-7-5-2/h4-11H2,1-3H3/b14-13-
InChIKeyMUDPIXGMOKPROX-YPKPFQOOSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.26
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-5-bromo-6-(2-bromoethyl)dec-5-ene
CID 121009730
ethene;hexan-2-one
CID 88765599
hexan-2-one;molecular nitrogen
CID 174442577
methane;octan-2-one
CID 159061487
4-oxopentanoate;pentanoate
CID 21431295
heptadecane-2,5,8,11-tetrone
CID 12716046
butan-1-ol;hexan-2-one
CID 20532115
hexane-2,5-dione
CID 8035
octadecakis(hexane);nonan-2-one
CID 173226284
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonan-2-one
CID 13187

Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-5-butyldec-5-en-2-one?
The IUPAC name of (Z)-6-bromo-5-butyldec-5-en-2-one (CID 101186070) is (Z)-6-bromo-5-butyldec-5-en-2-one.
What is the SMILES notation for (Z)-6-bromo-5-butyldec-5-en-2-one?
The canonical SMILES for (Z)-6-bromo-5-butyldec-5-en-2-one is CCCC/C(Br)=C(\CCCC)CCC(C)=O.
What is the InChIKey of (Z)-6-bromo-5-butyldec-5-en-2-one?
The InChIKey is MUDPIXGMOKPROX-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H25BrO/c1-4-6-8-13(11-10-12(3)16)14(15)9-7-5-2/h4-11H2,1-3H3/b14-13-.
What are the key properties of (Z)-6-bromo-5-butyldec-5-en-2-one?
(Z)-6-bromo-5-butyldec-5-en-2-one has a molecular weight of 289.26 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-5-butyldec-5-en-2-one is sourced from PubChem (CID 101186070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).