2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione

C20H32O5Si — CID 71486241

IUPAC2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOCOC(C/C=C\C[Si](C)(C)C)C(C)(C)OC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C20H32O5Si/c1-15-12-17(22)18(13-16(15)21)25-20(2,3)19(24-14-23-4)10-8-9-11-26(5,6)7/h8-9,12-13,19H,10-11,14H2,1-7H3/b9-8-
InChIKeyVALCSXQCAAIMOK-HJWRWDBZSA-N
MW380.56 g/mol
LogP4.04
Rot. Bonds10

About 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione

2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 71486241) has the molecular formula C20H32O5Si and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID71486241
Molecular FormulaC20H32O5Si
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOCOC(C/C=C\C[Si](C)(C)C)C(C)(C)OC1=CC(=O)C(C)=CC1=O
InChIInChI=1S/C20H32O5Si/c1-15-12-17(22)18(13-16(15)21)25-20(2,3)19(24-14-23-4)10-8-9-11-26(5,6)7/h8-9,12-13,19H,10-11,14H2,1-7H3/b9-8-
InChIKeyVALCSXQCAAIMOK-HJWRWDBZSA-N
XLogP4.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione (CID 71486241) is 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione is COCOC(C/C=C\C[Si](C)(C)C)C(C)(C)OC1=CC(=O)C(C)=CC1=O.
What is the InChIKey of 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is VALCSXQCAAIMOK-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H32O5Si/c1-15-12-17(22)18(13-16(15)21)25-20(2,3)19(24-14-23-4)10-8-9-11-26(5,6)7/h8-9,12-13,19H,10-11,14H2,1-7H3/b9-8-.
What are the key properties of 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione?
2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 380.56 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(methoxymethoxy)-2-methyl-7-trimethylsilylhept-5-en-2-yl]oxy-5-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 71486241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).