undec-2-en-6-one;hydrochloride

C11H21ClO — CID 175086863

IUPACundec-2-en-6-one;hydrochloride
SMILESCC=CCCC(=O)CCCCC.Cl
InChIInChI=1S/C11H20O.ClH/c1-3-5-7-9-11(12)10-8-6-4-2;/h3,5H,4,6-10H2,1-2H3;1H
InChIKeyRBGAPRGPWBETTF-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.91
Rot. Bonds7

About undec-2-en-6-one;hydrochloride

undec-2-en-6-one;hydrochloride (PubChem CID 175086863) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is undec-2-en-6-one;hydrochloride.

Molecular Properties

Compound Nameundec-2-en-6-one;hydrochloride
PubChem CID175086863
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Nameundec-2-en-6-one;hydrochloride
SMILESCC=CCCC(=O)CCCCC.Cl
InChIInChI=1S/C11H20O.ClH/c1-3-5-7-9-11(12)10-8-6-4-2;/h3,5H,4,6-10H2,1-2H3;1H
InChIKeyRBGAPRGPWBETTF-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptadec-2-en-7-one
CID 54227331
(E)-nonadec-12-en-9-one
CID 15584258
non-7-en-4-one
CID 57110919
(E)-triacont-15-ene-8,23-dione
CID 11849500
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
tetradeca-1,3-dien-7-one
CID 140791016
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of undec-2-en-6-one;hydrochloride?
The IUPAC name of undec-2-en-6-one;hydrochloride (CID 175086863) is undec-2-en-6-one;hydrochloride.
What is the SMILES notation for undec-2-en-6-one;hydrochloride?
The canonical SMILES for undec-2-en-6-one;hydrochloride is CC=CCCC(=O)CCCCC.Cl.
What is the InChIKey of undec-2-en-6-one;hydrochloride?
The InChIKey is RBGAPRGPWBETTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.ClH/c1-3-5-7-9-11(12)10-8-6-4-2;/h3,5H,4,6-10H2,1-2H3;1H.
What are the key properties of undec-2-en-6-one;hydrochloride?
undec-2-en-6-one;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-en-6-one;hydrochloride is sourced from PubChem (CID 175086863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).