tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane

C22H34O4Si — CID 11760960

IUPACtert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
SMILESC/C(C#CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@H]12)=C/COC1CCCCO1
InChIInChI=1S/C22H34O4Si/c1-16(12-14-24-19-9-7-8-13-23-19)10-11-17-15-18(21-20(17)25-21)26-27(5,6)22(2,3)4/h12,15,18-21H,7-9,13-14H2,1-6H3/b16-12-/t18-,19?,20-,21+/m1/s1
InChIKeyFKKRQNHLWBKVPY-AQJYZVHUSA-N
MW390.60 g/mol
LogP4.58
Rot. Bonds5

About tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane (PubChem CID 11760960) has the molecular formula C22H34O4Si and a molecular weight of 390.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
PubChem CID11760960
Molecular FormulaC22H34O4Si
Molecular Weight390.60 g/mol
Exact Mass390.22
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
SMILESC/C(C#CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@H]12)=C/COC1CCCCO1
InChIInChI=1S/C22H34O4Si/c1-16(12-14-24-19-9-7-8-13-23-19)10-11-17-15-18(21-20(17)25-21)26-27(5,6)22(2,3)4/h12,15,18-21H,7-9,13-14H2,1-6H3/b16-12-/t18-,19?,20-,21+/m1/s1
InChIKeyFKKRQNHLWBKVPY-AQJYZVHUSA-N
XLogP4.58
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 139616241
tert-butyl-dimethyl-[[(1S,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
CID 139616244
(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 139616249
4-[(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1-ethoxyethoxy)-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-yl]but-2-yn-1-ol
CID 10941382
tert-butyl-[(2S,3S,4S,6S)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 23254399
tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 23254440

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane (CID 11760960) is tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane is C/C(C#CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@H]12)=C/COC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The InChIKey is FKKRQNHLWBKVPY-AQJYZVHUSA-N. The full InChI is InChI=1S/C22H34O4Si/c1-16(12-14-24-19-9-7-8-13-23-19)10-11-17-15-18(21-20(17)25-21)26-27(5,6)22(2,3)4/h12,15,18-21H,7-9,13-14H2,1-6H3/b16-12-/t18-,19?,20-,21+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane has a molecular weight of 390.60 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,5R)-4-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane is sourced from PubChem (CID 11760960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).