(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol

C17H38O3Si — CID 134838175

IUPAC(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
SMILESCCC(O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)CC
InChIInChI=1S/C17H38O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-16,18-19H,10-11H2,1-9H3/t12-,13-,14-,15?,16?/m1/s1
InChIKeyFPVHOUXSTCAWAI-AUVVZJRPSA-N
MW318.57 g/mol
LogP4.19
Rot. Bonds8

About (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol

(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol (PubChem CID 134838175) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol.

Molecular Properties

Compound Name(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
PubChem CID134838175
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
SMILESCCC(O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)CC
InChIInChI=1S/C17H38O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-16,18-19H,10-11H2,1-9H3/t12-,13-,14-,15?,16?/m1/s1
InChIKeyFPVHOUXSTCAWAI-AUVVZJRPSA-N
XLogP4.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
[4-[Tert-butyl(dimethyl)silyl]oxycyclohexyl]-(3-fluorocyclohexyl)methanol
CID 140449992
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445
Silane, diethyldodecyloxy(6-ethyloct-3-yloxy)-
CID 91744729
Silane, diethyl(6-ethyloct-3-yloxy)tridecyloxy-
CID 91744990
Silane, diethyl(6-ethyloct-3-yloxy)tetradecyloxy-
CID 91745182
Silane, diethyl(6-ethyloct-3-yloxy)pentadecyloxy-
CID 91745383
Silane, diethyl(6-ethyloct-3-yloxy)hexadecyloxy-
CID 91745523
Silane, diethyl(6-ethyloct-3-yloxy)heptadecyloxy-
CID 91745649
cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10903647

Frequently Asked Questions

What is the IUPAC name of (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol?
The IUPAC name of (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol (CID 134838175) is (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol.
What is the SMILES notation for (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol?
The canonical SMILES for (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol is CCC(O)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)CC.
What is the InChIKey of (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol?
The InChIKey is FPVHOUXSTCAWAI-AUVVZJRPSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-10-14(18)12(3)16(13(4)15(19)11-2)20-21(8,9)17(5,6)7/h12-16,18-19H,10-11H2,1-9H3/t12-,13-,14-,15?,16?/m1/s1.
What are the key properties of (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol?
(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol has a molecular weight of 318.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol is sourced from PubChem (CID 134838175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).