(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol

C25H38O4Si — CID 11796895

IUPAC(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
SMILESCOCO[C@H](CCCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38O4Si/c1-25(2,3)30(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-22(28-21-27-4)14-8-7-13-19-26/h5-6,9-12,15-18,22,26H,7-8,13-14,19-21H2,1-4H3/t22-/m1/s1
InChIKeyDQGPMGDLUGAUIG-JOCHJYFZSA-N
MW430.66 g/mol
LogP4.10
Rot. Bonds13

About (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol

(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol (PubChem CID 11796895) has the molecular formula C25H38O4Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol.

Molecular Properties

Compound Name(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
PubChem CID11796895
Molecular FormulaC25H38O4Si
Molecular Weight430.66 g/mol
Exact Mass430.25
IUPAC Name(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
SMILESCOCO[C@H](CCCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38O4Si/c1-25(2,3)30(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-22(28-21-27-4)14-8-7-13-19-26/h5-6,9-12,15-18,22,26H,7-8,13-14,19-21H2,1-4H3/t22-/m1/s1
InChIKeyDQGPMGDLUGAUIG-JOCHJYFZSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.10
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
CID 123627737
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
CID 10895162
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol?
The IUPAC name of (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol (CID 11796895) is (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol.
What is the SMILES notation for (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol?
The canonical SMILES for (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol is COCO[C@H](CCCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol?
The InChIKey is DQGPMGDLUGAUIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H38O4Si/c1-25(2,3)30(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-22(28-21-27-4)14-8-7-13-19-26/h5-6,9-12,15-18,22,26H,7-8,13-14,19-21H2,1-4H3/t22-/m1/s1.
What are the key properties of (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol?
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol has a molecular weight of 430.66 g/mol, XLogP of 4.10, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol is sourced from PubChem (CID 11796895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).