(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol

C27H40O2Si — CID 134834787

IUPAC(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
SMILESC=CCCCC(O)CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si/c1-6-7-10-17-24(28)18-15-16-23(2)29-30(27(3,4)5,25-19-11-8-12-20-25)26-21-13-9-14-22-26/h6,8-9,11-14,19-24,28H,1,7,10,15-18H2,2-5H3/t23-,24?/m1/s1
InChIKeyIGPMBMKKQXQSCJ-MIHMCVIASA-N
MW424.70 g/mol
LogP5.84
Rot. Bonds12

About (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol

(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol (PubChem CID 134834787) has the molecular formula C27H40O2Si and a molecular weight of 424.70 g/mol. Its IUPAC name is (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol.

Molecular Properties

Compound Name(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
PubChem CID134834787
Molecular FormulaC27H40O2Si
Molecular Weight424.70 g/mol
Exact Mass424.28
IUPAC Name(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
SMILESC=CCCCC(O)CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si/c1-6-7-10-17-24(28)18-15-16-23(2)29-30(27(3,4)5,25-19-11-8-12-20-25)26-21-13-9-14-22-26/h6,8-9,11-14,19-24,28H,1,7,10,15-18H2,2-5H3/t23-,24?/m1/s1
InChIKeyIGPMBMKKQXQSCJ-MIHMCVIASA-N
XLogP5.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 55.84
H-Bond Donors ≤ 51
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

(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 11071459
2-[(2S,4S)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 10962441
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239

Frequently Asked Questions

What is the IUPAC name of (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol?
The IUPAC name of (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol (CID 134834787) is (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol.
What is the SMILES notation for (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol?
The canonical SMILES for (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol is C=CCCCC(O)CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol?
The InChIKey is IGPMBMKKQXQSCJ-MIHMCVIASA-N. The full InChI is InChI=1S/C27H40O2Si/c1-6-7-10-17-24(28)18-15-16-23(2)29-30(27(3,4)5,25-19-11-8-12-20-25)26-21-13-9-14-22-26/h6,8-9,11-14,19-24,28H,1,7,10,15-18H2,2-5H3/t23-,24?/m1/s1.
What are the key properties of (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol?
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol has a molecular weight of 424.70 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol is sourced from PubChem (CID 134834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).