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

C32H70O4Si2 — CID 23727961

IUPAC(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol
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/C32H70O4Si2/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/h26-29,33-34H,15-25H2,1-14H3/t26-,27-,28-,29?,32-/m1/s1
InChIKeyIPFMXVJASWHMLH-RBVQPAHYSA-N
MW575.08 g/mol
LogP9.56
Rot. Bonds19

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

(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol (PubChem CID 23727961) has the molecular formula C32H70O4Si2 and a molecular weight of 575.08 g/mol. Its IUPAC name is (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol.

Molecular Properties

Compound Name(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol
PubChem CID23727961
Molecular FormulaC32H70O4Si2
Molecular Weight575.08 g/mol
Exact Mass574.48
IUPAC Name(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol
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/C32H70O4Si2/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/h26-29,33-34H,15-25H2,1-14H3/t26-,27-,28-,29?,32-/m1/s1
InChIKeyIPFMXVJASWHMLH-RBVQPAHYSA-N
XLogP9.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.08
LogP ≤ 59.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10903647
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473
(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
CID 134863674
(2R,3S,4R,5R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
CID 134863675
2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
CID 134940448
(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014072
(2R,4R,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014073
(4S,6R,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynonan-4-ol
CID 135014075
(4S,6S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynonan-4-ol
CID 135014076

Frequently Asked Questions

What is the IUPAC name of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol?
The IUPAC name of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol (CID 23727961) is (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol.
What is the SMILES notation for (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol?
The canonical SMILES for (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol 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]-3,7,11,15-tetramethylhexadecane-4,11-diol?
The InChIKey is IPFMXVJASWHMLH-RBVQPAHYSA-N. The full InChI is InChI=1S/C32H70O4Si2/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/h26-29,33-34H,15-25H2,1-14H3/t26-,27-,28-,29?,32-/m1/s1.
What are the key properties of (3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol?
(3R,7R,11R,15R)-1,16-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,11,15-tetramethylhexadecane-4,11-diol has a molecular weight of 575.08 g/mol, XLogP of 9.56, 19 rotatable bonds, 2 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]-3,7,11,15-tetramethylhexadecane-4,11-diol is sourced from PubChem (CID 23727961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).