[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane

C22H42O2Si — CID 11710370

IUPAC[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@H](C=C)O[C@@H](C=C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-10-15-21(11-2)24-22(12-3)16-13-14-17-23-25(18(4)5,19(6)7)20(8)9/h10-12,18-22H,1-3,13-17H2,4-9H3/t21-,22-/m0/s1
InChIKeyOZGAEFPTHPUTFZ-VXKWHMMOSA-N
MW366.66 g/mol
LogP7.05
Rot. Bonds15

About [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane

[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane (PubChem CID 11710370) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
PubChem CID11710370
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@H](C=C)O[C@@H](C=C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-10-15-21(11-2)24-22(12-3)16-13-14-17-23-25(18(4)5,19(6)7)20(8)9/h10-12,18-22H,1-3,13-17H2,4-9H3/t21-,22-/m0/s1
InChIKeyOZGAEFPTHPUTFZ-VXKWHMMOSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
CID 15632318
4-Cyclohexyloxyhexa-1,5-dienyl-dimethyl-propan-2-ylsilane
CID 70292486
dimethyl-[(1S)-1-[(2S)-pent-4-en-2-yl]oxyhexyl]-trimethylsilyloxysilane
CID 10734226
Tert-butyl-(5-ethenoxy-6-methylhept-6-enoxy)-dimethylsilane
CID 10968061
tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 11064587
CID 24865503
CID 24865503
[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate
CID 57332982

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane (CID 11710370) is [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane is C=CC[C@H](C=C)O[C@@H](C=C)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane?
The InChIKey is OZGAEFPTHPUTFZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-10-15-21(11-2)24-22(12-3)16-13-14-17-23-25(18(4)5,19(6)7)20(8)9/h10-12,18-22H,1-3,13-17H2,4-9H3/t21-,22-/m0/s1.
What are the key properties of [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane?
[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane has a molecular weight of 366.66 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).