(Z)-3-(chloromethyl)undec-3-en-2-one

C12H21ClO — CID 10965961

IUPAC(Z)-3-(chloromethyl)undec-3-en-2-one
SMILESCCCCCCC/C=C(\CCl)C(C)=O
InChIInChI=1S/C12H21ClO/c1-3-4-5-6-7-8-9-12(10-13)11(2)14/h9H,3-8,10H2,1-2H3/b12-9+
InChIKeyFWYGHMOGYQUIJL-FMIVXFBMSA-N
MW216.75 g/mol
LogP4.10
Rot. Bonds8

About (Z)-3-(chloromethyl)undec-3-en-2-one

(Z)-3-(chloromethyl)undec-3-en-2-one (PubChem CID 10965961) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is (Z)-3-(chloromethyl)undec-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(chloromethyl)undec-3-en-2-one
PubChem CID10965961
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name(Z)-3-(chloromethyl)undec-3-en-2-one
SMILESCCCCCCC/C=C(\CCl)C(C)=O
InChIInChI=1S/C12H21ClO/c1-3-4-5-6-7-8-9-12(10-13)11(2)14/h9H,3-8,10H2,1-2H3/b12-9+
InChIKeyFWYGHMOGYQUIJL-FMIVXFBMSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 54.10
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9-acetyloctadec-9-enoic acid
CID 123865371
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(Z)-3-methylnon-3-en-2-one
CID 98567788
2-methyldodec-2-enoyl chloride
CID 72833281
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylpentadec-2-enethioic S-acid
CID 87863769
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(chloromethyl)undec-3-en-2-one?
The IUPAC name of (Z)-3-(chloromethyl)undec-3-en-2-one (CID 10965961) is (Z)-3-(chloromethyl)undec-3-en-2-one.
What is the SMILES notation for (Z)-3-(chloromethyl)undec-3-en-2-one?
The canonical SMILES for (Z)-3-(chloromethyl)undec-3-en-2-one is CCCCCCC/C=C(\CCl)C(C)=O.
What is the InChIKey of (Z)-3-(chloromethyl)undec-3-en-2-one?
The InChIKey is FWYGHMOGYQUIJL-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21ClO/c1-3-4-5-6-7-8-9-12(10-13)11(2)14/h9H,3-8,10H2,1-2H3/b12-9+.
What are the key properties of (Z)-3-(chloromethyl)undec-3-en-2-one?
(Z)-3-(chloromethyl)undec-3-en-2-one has a molecular weight of 216.75 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(chloromethyl)undec-3-en-2-one is sourced from PubChem (CID 10965961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).