magnesium;(6S)-2,6-dimethyloct-2-ene;chloride

C10H19ClMg — CID 164665719

IUPACmagnesium;(6S)-2,6-dimethyloct-2-ene;chloride
SMILES[CH2-]C[C@H](C)CCC=C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C10H19.ClH.Mg/c1-5-10(4)8-6-7-9(2)3;;/h7,10H,1,5-6,8H2,2-4H3;1H;/q-1;;+2/p-1/t10-;;/m0../s1
InChIKeyWFQCPWDMGPIBSA-XRIOVQLTSA-M
MW199.02 g/mol
LogP0.22
Rot. Bonds4

About magnesium;(6S)-2,6-dimethyloct-2-ene;chloride

magnesium;(6S)-2,6-dimethyloct-2-ene;chloride (PubChem CID 164665719) has the molecular formula C10H19ClMg and a molecular weight of 199.02 g/mol. Its IUPAC name is magnesium;(6S)-2,6-dimethyloct-2-ene;chloride.

Molecular Properties

Compound Namemagnesium;(6S)-2,6-dimethyloct-2-ene;chloride
PubChem CID164665719
Molecular FormulaC10H19ClMg
Molecular Weight199.02 g/mol
Exact Mass198.10
IUPAC Namemagnesium;(6S)-2,6-dimethyloct-2-ene;chloride
SMILES[CH2-]C[C@H](C)CCC=C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C10H19.ClH.Mg/c1-5-10(4)8-6-7-9(2)3;;/h7,10H,1,5-6,8H2,2-4H3;1H;/q-1;;+2/p-1/t10-;;/m0../s1
InChIKeyWFQCPWDMGPIBSA-XRIOVQLTSA-M
XLogP0.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
alpha-Bisabolene
CID 86597
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468
Germacrene A
CID 5835162
(-)-beta-Curcumene
CID 14014430

Frequently Asked Questions

What is the IUPAC name of magnesium;(6S)-2,6-dimethyloct-2-ene;chloride?
The IUPAC name of magnesium;(6S)-2,6-dimethyloct-2-ene;chloride (CID 164665719) is magnesium;(6S)-2,6-dimethyloct-2-ene;chloride.
What is the SMILES notation for magnesium;(6S)-2,6-dimethyloct-2-ene;chloride?
The canonical SMILES for magnesium;(6S)-2,6-dimethyloct-2-ene;chloride is [CH2-]C[C@H](C)CCC=C(C)C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;(6S)-2,6-dimethyloct-2-ene;chloride?
The InChIKey is WFQCPWDMGPIBSA-XRIOVQLTSA-M. The full InChI is InChI=1S/C10H19.ClH.Mg/c1-5-10(4)8-6-7-9(2)3;;/h7,10H,1,5-6,8H2,2-4H3;1H;/q-1;;+2/p-1/t10-;;/m0../s1.
What are the key properties of magnesium;(6S)-2,6-dimethyloct-2-ene;chloride?
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride has a molecular weight of 199.02 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(6S)-2,6-dimethyloct-2-ene;chloride is sourced from PubChem (CID 164665719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).