(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol

C20H44O2Si — CID 135014072

IUPAC(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
SMILESCCC[C@@H](C[C@@H](C)C[C@@H](C)CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H44O2Si/c1-10-11-20(13-18(8)12-19(9)14-21)22-23(15(2)3,16(4)5)17(6)7/h15-21H,10-14H2,1-9H3/t18-,19+,20-/m0/s1
InChIKeyQXAYIKQWSWVXSN-ZCNNSNEGSA-N
MW344.66 g/mol
LogP6.39
Rot. Bonds12

About (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol

(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol (PubChem CID 135014072) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol.

Molecular Properties

Compound Name(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
PubChem CID135014072
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Name(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
SMILESCCC[C@@H](C[C@@H](C)C[C@@H](C)CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H44O2Si/c1-10-11-20(13-18(8)12-19(9)14-21)22-23(15(2)3,16(4)5)17(6)7/h15-21H,10-14H2,1-9H3/t18-,19+,20-/m0/s1
InChIKeyQXAYIKQWSWVXSN-ZCNNSNEGSA-N
XLogP6.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
1-(2,2-Dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
CID 143247526
Diethoxy-(10-fluorodecyl)-(6-methylpentadecan-2-yloxy)silane
CID 175547717
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, dimethyl(3,7-dimethyloct-3-yloxy)heptyloxy-
CID 91742249
Silane, dimethyl(3,7-dimethyloct-3-yloxy)octyloxy-
CID 91742773
Silane, dimethyl(3,7-dimethyloct-3-yloxy)decyloxy-
CID 91743740
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyldi(6-ethyloct-3-yloxy)-
CID 91744129
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol?
The IUPAC name of (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol (CID 135014072) is (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol.
What is the SMILES notation for (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol?
The canonical SMILES for (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol is CCC[C@@H](C[C@@H](C)C[C@@H](C)CO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol?
The InChIKey is QXAYIKQWSWVXSN-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-10-11-20(13-18(8)12-19(9)14-21)22-23(15(2)3,16(4)5)17(6)7/h15-21H,10-14H2,1-9H3/t18-,19+,20-/m0/s1.
What are the key properties of (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol?
(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol has a molecular weight of 344.66 g/mol, XLogP of 6.39, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol is sourced from PubChem (CID 135014072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).