4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one

C16H26O5Si — CID 10592256

IUPAC4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
SMILESCCCC(=C=C(OC)C1(O)C(=O)C(OC)=C1OC)[Si](C)(C)C
InChIInChI=1S/C16H26O5Si/c1-8-9-11(22(5,6)7)10-12(19-2)16(18)14(17)13(20-3)15(16)21-4/h18H,8-9H2,1-7H3
InChIKeyVOJDTLGZXTWMKG-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.54
Rot. Bonds7

About 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one

4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one (PubChem CID 10592256) has the molecular formula C16H26O5Si and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
PubChem CID10592256
Molecular FormulaC16H26O5Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
SMILESCCCC(=C=C(OC)C1(O)C(=O)C(OC)=C1OC)[Si](C)(C)C
InChIInChI=1S/C16H26O5Si/c1-8-9-11(22(5,6)7)10-12(19-2)16(18)14(17)13(20-3)15(16)21-4/h18H,8-9H2,1-7H3
InChIKeyVOJDTLGZXTWMKG-UHFFFAOYSA-N
XLogP2.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-Hydroxy-2,3-dimethoxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 85574271
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140288
4-Hex-1-ynyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14169194
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215
4-Hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689912
2,3-Dibutoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 89960827
4-Hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one
CID 10261343
4-Hydroxy-2,3-dimethoxy-4-(5-methyl-1-trimethylsilylhexa-3,4-dien-1-yn-3-yl)cyclobut-2-en-1-one
CID 10590797
4-Hydroxy-2,3-dimethoxy-4-[1-[(2-methylpropan-2-yl)oxy]-3,3-bis(trimethylsilyl)propa-1,2-dienyl]cyclobut-2-en-1-one
CID 10668587
4-Hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 14140284

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one (CID 10592256) is 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one is CCCC(=C=C(OC)C1(O)C(=O)C(OC)=C1OC)[Si](C)(C)C.
What is the InChIKey of 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The InChIKey is VOJDTLGZXTWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5Si/c1-8-9-11(22(5,6)7)10-12(19-2)16(18)14(17)13(20-3)15(16)21-4/h18H,8-9H2,1-7H3.
What are the key properties of 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one has a molecular weight of 326.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one is sourced from PubChem (CID 10592256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).