chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane

C19H39ClO2SiZn — CID 134941015

IUPACchlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane
SMILESCl[Zn+].[CH2-]CCC/C=C/[C@@H](CCCCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39O2Si.ClH.Zn/c1-6-8-10-12-14-19(15-13-11-9-7-2)21-18-20-16-17-22(3,4)5;;/h12,14,19H,1,6-11,13,15-18H2,2-5H3;1H;/q-1;;+2/p-1/b14-12+;;/t19-;;/m0../s1
InChIKeyRUDHELAKDBJNBI-LRRISBDESA-M
MW428.45 g/mol
LogP6.90
Rot. Bonds15

About chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane

chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane (PubChem CID 134941015) has the molecular formula C19H39ClO2SiZn and a molecular weight of 428.45 g/mol. Its IUPAC name is chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane.

Molecular Properties

Compound Namechlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane
PubChem CID134941015
Molecular FormulaC19H39ClO2SiZn
Molecular Weight428.45 g/mol
Exact Mass426.17
IUPAC Namechlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane
SMILESCl[Zn+].[CH2-]CCC/C=C/[C@@H](CCCCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39O2Si.ClH.Zn/c1-6-8-10-12-14-19(15-13-11-9-7-2)21-18-20-16-17-22(3,4)5;;/h12,14,19H,1,6-11,13,15-18H2,2-5H3;1H;/q-1;;+2/p-1/b14-12+;;/t19-;;/m0../s1
InChIKeyRUDHELAKDBJNBI-LRRISBDESA-M
XLogP6.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[4-[3-(2-methoxypropan-2-yloxy)cyclopenten-1-yl]butoxy]-dimethylsilane
CID 10315372
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
[(7Z)-8-(methoxymethoxymethyl)-2-methylidenecyclododec-7-en-3-yn-1-yl]oxy-tri(propan-2-yl)silane
CID 9979554
tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane
CID 10747441
tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane
CID 10996316
tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane
CID 11082739
2-[[(E,7R)-1-iodotridec-5-en-7-yl]oxymethoxy]ethyl-trimethylsilane
CID 24851247
trimethyl-[2-[[(5E,7R)-trideca-1,5-dien-7-yl]oxymethoxy]ethyl]silane
CID 24851251
tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane
CID 101104972
trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane
CID 134941016

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane?
The IUPAC name of chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane (CID 134941015) is chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane.
What is the SMILES notation for chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane?
The canonical SMILES for chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane is Cl[Zn+].[CH2-]CCC/C=C/[C@@H](CCCCCC)OCOCC[Si](C)(C)C.
What is the InChIKey of chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane?
The InChIKey is RUDHELAKDBJNBI-LRRISBDESA-M. The full InChI is InChI=1S/C19H39O2Si.ClH.Zn/c1-6-8-10-12-14-19(15-13-11-9-7-2)21-18-20-16-17-22(3,4)5;;/h12,14,19H,1,6-11,13,15-18H2,2-5H3;1H;/q-1;;+2/p-1/b14-12+;;/t19-;;/m0../s1.
What are the key properties of chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane?
chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane has a molecular weight of 428.45 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);trimethyl-[2-[[(E,7R)-tridec-5-en-7-yl]oxymethoxy]ethyl]silane is sourced from PubChem (CID 134941015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).