magnesium;ethene;non-1-yne;hydrochloride

C11H19ClMg — CID 88652813

IUPACmagnesium;ethene;non-1-yne;hydrochloride
SMILESCl.[C-]#CCCCCCCC.[H][C-]=C.[Mg+2]
InChIInChI=1S/C9H15.C2H3.ClH.Mg/c1-3-5-7-9-8-6-4-2;1-2;;/h3,5-9H2,1H3;1H,2H2;1H;/q2*-1;;+2
InChIKeyDVYNAJORPXNQGN-UHFFFAOYSA-N
MW211.03 g/mol
LogP3.58
Rot. Bonds5

About magnesium;ethene;non-1-yne;hydrochloride

magnesium;ethene;non-1-yne;hydrochloride (PubChem CID 88652813) has the molecular formula C11H19ClMg and a molecular weight of 211.03 g/mol. Its IUPAC name is magnesium;ethene;non-1-yne;hydrochloride.

Molecular Properties

Compound Namemagnesium;ethene;non-1-yne;hydrochloride
PubChem CID88652813
Molecular FormulaC11H19ClMg
Molecular Weight211.03 g/mol
Exact Mass210.10
IUPAC Namemagnesium;ethene;non-1-yne;hydrochloride
SMILESCl.[C-]#CCCCCCCC.[H][C-]=C.[Mg+2]
InChIInChI=1S/C9H15.C2H3.ClH.Mg/c1-3-5-7-9-8-6-4-2;1-2;;/h3,5-9H2,1H3;1H,2H2;1H;/q2*-1;;+2
InChIKeyDVYNAJORPXNQGN-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 12517559
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CID 160833718
icosane;tetrahydrochloride
CID 143212018
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
henicos-8-yne
CID 22224321
octane;oxotin;hydrochloride
CID 173066555
heptane;phosphane;trihydrochloride
CID 175501735
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147

Frequently Asked Questions

What is the IUPAC name of magnesium;ethene;non-1-yne;hydrochloride?
The IUPAC name of magnesium;ethene;non-1-yne;hydrochloride (CID 88652813) is magnesium;ethene;non-1-yne;hydrochloride.
What is the SMILES notation for magnesium;ethene;non-1-yne;hydrochloride?
The canonical SMILES for magnesium;ethene;non-1-yne;hydrochloride is Cl.[C-]#CCCCCCCC.[H][C-]=C.[Mg+2].
What is the InChIKey of magnesium;ethene;non-1-yne;hydrochloride?
The InChIKey is DVYNAJORPXNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15.C2H3.ClH.Mg/c1-3-5-7-9-8-6-4-2;1-2;;/h3,5-9H2,1H3;1H,2H2;1H;/q2*-1;;+2.
What are the key properties of magnesium;ethene;non-1-yne;hydrochloride?
magnesium;ethene;non-1-yne;hydrochloride has a molecular weight of 211.03 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethene;non-1-yne;hydrochloride is sourced from PubChem (CID 88652813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).