(Z)-1,4-dichlorodec-4-en-2-one

C10H16Cl2O — CID 101444851

IUPAC(Z)-1,4-dichlorodec-4-en-2-one
SMILESCCCCC/C=C(\Cl)CC(=O)CCl
InChIInChI=1S/C10H16Cl2O/c1-2-3-4-5-6-9(12)7-10(13)8-11/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyUCOIZCKQSCRRNP-TWGQIWQCSA-N
MW223.14 g/mol
LogP3.89
Rot. Bonds7

About (Z)-1,4-dichlorodec-4-en-2-one

(Z)-1,4-dichlorodec-4-en-2-one (PubChem CID 101444851) has the molecular formula C10H16Cl2O and a molecular weight of 223.14 g/mol. Its IUPAC name is (Z)-1,4-dichlorodec-4-en-2-one.

Molecular Properties

Compound Name(Z)-1,4-dichlorodec-4-en-2-one
PubChem CID101444851
Molecular FormulaC10H16Cl2O
Molecular Weight223.14 g/mol
Exact Mass222.06
IUPAC Name(Z)-1,4-dichlorodec-4-en-2-one
SMILESCCCCC/C=C(\Cl)CC(=O)CCl
InChIInChI=1S/C10H16Cl2O/c1-2-3-4-5-6-9(12)7-10(13)8-11/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyUCOIZCKQSCRRNP-TWGQIWQCSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,2-dichlorohept-2-ene
CID 55302648
(Z)-3-(chloromethyl)undec-3-en-2-one
CID 10965961
(Z)-2-chlorooct-2-enoic acid
CID 101279333
2-methyldodec-2-enoyl chloride
CID 72833281
silver 9-chlorooctadec-9-enoate
CID 173443015
(E)-2,4-dichlorodec-4-ene
CID 23264631
methyl (Z)-2-[(2-chloroacetyl)amino]hexadec-2-enoate
CID 110190847
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
(Z)-4-methyldec-4-en-2-one
CID 15267519
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
1-chlorooctadec-1-en-1-amine
CID 173460084

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-dichlorodec-4-en-2-one?
The IUPAC name of (Z)-1,4-dichlorodec-4-en-2-one (CID 101444851) is (Z)-1,4-dichlorodec-4-en-2-one.
What is the SMILES notation for (Z)-1,4-dichlorodec-4-en-2-one?
The canonical SMILES for (Z)-1,4-dichlorodec-4-en-2-one is CCCCC/C=C(\Cl)CC(=O)CCl.
What is the InChIKey of (Z)-1,4-dichlorodec-4-en-2-one?
The InChIKey is UCOIZCKQSCRRNP-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16Cl2O/c1-2-3-4-5-6-9(12)7-10(13)8-11/h6H,2-5,7-8H2,1H3/b9-6-.
What are the key properties of (Z)-1,4-dichlorodec-4-en-2-one?
(Z)-1,4-dichlorodec-4-en-2-one has a molecular weight of 223.14 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-dichlorodec-4-en-2-one is sourced from PubChem (CID 101444851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).