[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane

C19H32O3Si — CID 10914676

IUPAC[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1C=CC=C[C@@H](OCC=C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-8-14-20-16-12-10-11-13-17(21-15-9-2)18(16)22-23(6,7)19(3,4)5/h8-13,16-18H,1-2,14-15H2,3-7H3/t16-,17+,18?
InChIKeyANYZONARMCVTPG-JWTNVVGKSA-N
MW336.55 g/mol
LogP4.65
Rot. Bonds8

About [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane

[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10914676) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10914676
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1C=CC=C[C@@H](OCC=C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-8-14-20-16-12-10-11-13-17(21-15-9-2)18(16)22-23(6,7)19(3,4)5/h8-13,16-18H,1-2,14-15H2,3-7H3/t16-,17+,18?
InChIKeyANYZONARMCVTPG-JWTNVVGKSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
CID 14633649
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane
CID 11058108
tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
CID 11257174
(R,Z)-4-(tert-Butyldimethysilyloxy)-2,3,4,7-tetrahydrooxepine
CID 25133895
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744

Frequently Asked Questions

What is the IUPAC name of [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane (CID 10914676) is [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane is C=CCO[C@H]1C=CC=C[C@@H](OCC=C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ANYZONARMCVTPG-JWTNVVGKSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-8-14-20-16-12-10-11-13-17(21-15-9-2)18(16)22-23(6,7)19(3,4)5/h8-13,16-18H,1-2,14-15H2,3-7H3/t16-,17+,18?.
What are the key properties of [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane?
[(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 336.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,7R)-2,7-bis(prop-2-enoxy)cyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10914676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).