(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol

C20H40O2Si — CID 11233116

IUPAC(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol
SMILESC#C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C
InChIInChI=1S/C20H40O2Si/c1-12-19(20(10,11)18(21)13-14(2)3)22-23(15(4)5,16(6)7)17(8)9/h1,14-19,21H,13H2,2-11H3/t18-,19+/m1/s1
InChIKeyCSOIJXGKSBKTEI-MOPGFXCFSA-N
MW340.62 g/mol
LogP5.61
Rot. Bonds9

About (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol

(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol (PubChem CID 11233116) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol.

Molecular Properties

Compound Name(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol
PubChem CID11233116
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol
SMILESC#C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C
InChIInChI=1S/C20H40O2Si/c1-12-19(20(10,11)18(21)13-14(2)3)22-23(15(4)5,16(6)7)17(8)9/h1,14-19,21H,13H2,2-11H3/t18-,19+/m1/s1
InChIKeyCSOIJXGKSBKTEI-MOPGFXCFSA-N
XLogP5.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol
CID 11337931
5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol
CID 102108647
(2R,3S)-2-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
CID 101145508
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
1-tri(propan-2-yl)silyloxyethanol
CID 87610616
(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol
CID 58510383
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
tert-butyl N-[(3S)-5-methylhex-1-yn-3-yl]carbamate
CID 45092127
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056027
ethyl (E)-5,5-dimethyl-4-tri(propan-2-yl)silyloxyoct-2-en-7-ynoate
CID 10893905
3,3-dimethylhex-5-yne-2,4-diol
CID 130124828

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol?
The IUPAC name of (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol (CID 11233116) is (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol.
What is the SMILES notation for (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol?
The canonical SMILES for (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol is C#C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C.
What is the InChIKey of (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol?
The InChIKey is CSOIJXGKSBKTEI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-12-19(20(10,11)18(21)13-14(2)3)22-23(15(4)5,16(6)7)17(8)9/h1,14-19,21H,13H2,2-11H3/t18-,19+/m1/s1.
What are the key properties of (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol?
(4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol has a molecular weight of 340.62 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,5,5-trimethyl-6-tri(propan-2-yl)silyloxyoct-7-yn-4-ol is sourced from PubChem (CID 11233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).