(Z)-2-chlorooct-2-enoic acid

C8H13ClO2 — CID 101279333

IUPAC(Z)-2-chlorooct-2-enoic acid
SMILESCCCCC/C=C(\Cl)C(=O)O
InChIInChI=1S/C8H13ClO2/c1-2-3-4-5-6-7(9)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyOIXSFDJYXZWOJK-SREVYHEPSA-N
MW176.64 g/mol
LogP2.77
Rot. Bonds5

About (Z)-2-chlorooct-2-enoic acid

(Z)-2-chlorooct-2-enoic acid (PubChem CID 101279333) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is (Z)-2-chlorooct-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-chlorooct-2-enoic acid
PubChem CID101279333
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name(Z)-2-chlorooct-2-enoic acid
SMILESCCCCC/C=C(\Cl)C(=O)O
InChIInChI=1S/C8H13ClO2/c1-2-3-4-5-6-7(9)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyOIXSFDJYXZWOJK-SREVYHEPSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-nonadecylidenepropanedioic acid
CID 19832661
(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
2-octylundec-2-enoic acid
CID 87266721
2-methyldodec-2-enoyl chloride
CID 72833281
(E)-2-octyldec-2-enoic acid
CID 87824483
2-trichlorosilylundec-2-enoic acid
CID 174052679
2-[dichloro(methyl)silyl]undec-2-enoic acid
CID 174052681

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chlorooct-2-enoic acid?
The IUPAC name of (Z)-2-chlorooct-2-enoic acid (CID 101279333) is (Z)-2-chlorooct-2-enoic acid.
What is the SMILES notation for (Z)-2-chlorooct-2-enoic acid?
The canonical SMILES for (Z)-2-chlorooct-2-enoic acid is CCCCC/C=C(\Cl)C(=O)O.
What is the InChIKey of (Z)-2-chlorooct-2-enoic acid?
The InChIKey is OIXSFDJYXZWOJK-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13ClO2/c1-2-3-4-5-6-7(9)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-2-chlorooct-2-enoic acid?
(Z)-2-chlorooct-2-enoic acid has a molecular weight of 176.64 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chlorooct-2-enoic acid is sourced from PubChem (CID 101279333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).