(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol

C28H38O4Si — CID 11155554

IUPAC(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
SMILESCC1(C)OC[C@H]([C@@H](O)C#CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(23-16-10-8-11-17-23,24-18-12-9-13-19-24)31-21-15-7-6-14-20-25(29)26-22-30-28(4,5)32-26/h8-13,16-19,25-26,29H,6-7,15,21-22H2,1-5H3/t25-,26+/m0/s1
InChIKeyVJIBXBPRSNMFCK-IZZNHLLZSA-N
MW466.69 g/mol
LogP4.25
Rot. Bonds8

About (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol

(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol (PubChem CID 11155554) has the molecular formula C28H38O4Si and a molecular weight of 466.69 g/mol. Its IUPAC name is (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
PubChem CID11155554
Molecular FormulaC28H38O4Si
Molecular Weight466.69 g/mol
Exact Mass466.25
IUPAC Name(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
SMILESCC1(C)OC[C@H]([C@@H](O)C#CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(23-16-10-8-11-17-23,24-18-12-9-13-19-24)31-21-15-7-6-14-20-25(29)26-22-30-28(4,5)32-26/h8-13,16-19,25-26,29H,6-7,15,21-22H2,1-5H3/t25-,26+/m0/s1
InChIKeyVJIBXBPRSNMFCK-IZZNHLLZSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.69
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(7S)-8,8-bis(benzenesulfonyl)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-5-ynoxy]-tert-butyl-diphenylsilane
CID 11343164
9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
CID 132507154
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443
(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
CID 10002494
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
ethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-ynoate
CID 10672385
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326

Frequently Asked Questions

What is the IUPAC name of (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol?
The IUPAC name of (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol (CID 11155554) is (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol.
What is the SMILES notation for (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol?
The canonical SMILES for (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol is CC1(C)OC[C@H]([C@@H](O)C#CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol?
The InChIKey is VJIBXBPRSNMFCK-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H38O4Si/c1-27(2,3)33(23-16-10-8-11-17-23,24-18-12-9-13-19-24)31-21-15-7-6-14-20-25(29)26-22-30-28(4,5)32-26/h8-13,16-19,25-26,29H,6-7,15,21-22H2,1-5H3/t25-,26+/m0/s1.
What are the key properties of (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol?
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol has a molecular weight of 466.69 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol is sourced from PubChem (CID 11155554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).