(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one

C32H68O4Si2 — CID 23727962

IUPAC(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one
SMILESC[C@H](CCC[C@@](C)(O)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCC(=O)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H68O4Si2/c1-26(19-20-29(33)28(3)21-24-35-37(11,12)30(4,5)6)17-15-22-32(10,34)23-16-18-27(2)25-36-38(13,14)31(7,8)9/h26-28,34H,15-25H2,1-14H3/t26-,27-,28-,32-/m1/s1
InChIKeyBXWUSYDTBXMFBN-RBUURGHLSA-N
MW573.06 g/mol
LogP9.77
Rot. Bonds19

About (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one

(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one (PubChem CID 23727962) has the molecular formula C32H68O4Si2 and a molecular weight of 573.06 g/mol. Its IUPAC name is (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one.

Molecular Properties

Compound Name(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one
PubChem CID23727962
Molecular FormulaC32H68O4Si2
Molecular Weight573.06 g/mol
Exact Mass572.47
IUPAC Name(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one
SMILESC[C@H](CCC[C@@](C)(O)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCC(=O)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H68O4Si2/c1-26(19-20-29(33)28(3)21-24-35-37(11,12)30(4,5)6)17-15-22-32(10,34)23-16-18-27(2)25-36-38(13,14)31(7,8)9/h26-28,34H,15-25H2,1-14H3/t26-,27-,28-,32-/m1/s1
InChIKeyBXWUSYDTBXMFBN-RBUURGHLSA-N
XLogP9.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.06
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
CID 88585104
1,9-Dihydroxy-5-(3-triethoxysilylpropyl)nonane-4,6-dione
CID 89901556
9-Hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one
CID 175980716
11-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-methylundecan-6-one
CID 176357904
(2S,5S,6R,12S,13S,14R)-5,13-bis[[tert-butyl(dimethyl)silyl]oxy]-1,17-dihydroxy-2,6,12,14-tetramethylheptadecan-9-one
CID 10746190
1-[(1R,2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutyl]cyclopropyl]ethanone
CID 10870321
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-2,4,6-trimethyldecan-3-one
CID 11067932
4-Butyl-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-4-hydroxyoctan-2-one
CID 23256732
(7S,8R,10S,11S)-10,12-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-7,11-dimethyldodecan-2-one
CID 50916380
(8R,9S,10R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-8,10-dimethyl-9-trimethylsilyloxyundecan-5-one
CID 71764106
(2S,3R,7R)-2-(2-{[Tert-butyl(dimethyl)silyl]oxy}ethyl)-3-(1-hydroxy-1-methylethyl)-7-methylcycloheptanone
CID 99772244

Frequently Asked Questions

What is the IUPAC name of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one?
The IUPAC name of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one (CID 23727962) is (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one.
What is the SMILES notation for (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one?
The canonical SMILES for (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one is C[C@H](CCC[C@@](C)(O)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCC(=O)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one?
The InChIKey is BXWUSYDTBXMFBN-RBUURGHLSA-N. The full InChI is InChI=1S/C32H68O4Si2/c1-26(19-20-29(33)28(3)21-24-35-37(11,12)30(4,5)6)17-15-22-32(10,34)23-16-18-27(2)25-36-38(13,14)31(7,8)9/h26-28,34H,15-25H2,1-14H3/t26-,27-,28-,32-/m1/s1.
What are the key properties of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one?
(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one has a molecular weight of 573.06 g/mol, XLogP of 9.77, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-3,7,11,15-tetramethylhexadecan-4-one is sourced from PubChem (CID 23727962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).