[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane

C22H44O2Si — CID 24879566

IUPAC[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#C[C@@H](CCCC[C@H](C)[C@@H](CC)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O2Si/c1-11-21(16-14-13-15-20(9)22(12-2)23-10)24-25(17(3)4,18(5)6)19(7)8/h1,17-22H,12-16H2,2-10H3/t20-,21-,22+/m0/s1
InChIKeyDRFJDAFYOHFFJA-FDFHNCONSA-N
MW368.68 g/mol
LogP6.80
Rot. Bonds13

About [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane

[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 24879566) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID24879566
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC#C[C@@H](CCCC[C@H](C)[C@@H](CC)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O2Si/c1-11-21(16-14-13-15-20(9)22(12-2)23-10)24-25(17(3)4,18(5)6)19(7)8/h1,17-22H,12-16H2,2-10H3/t20-,21-,22+/m0/s1
InChIKeyDRFJDAFYOHFFJA-FDFHNCONSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
(6S,7R)-7-methoxy-6-methylnonanal
CID 24879565
trimethyl-[(3R)-oct-1-yn-3-yl]oxysilane
CID 129404520
(3R,4S,9R,11R)-3-methoxy-4-methyldotriacontane-9,11-diol
CID 102107820
8-methoxy-7-methyldec-1-yn-4-one
CID 174356167
1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 71662309
(8R)-3-ethyl-8-methoxy-N,7-dimethyldecan-1-amine
CID 163818827
5-tri(propan-2-yl)silyloxyhept-1-en-6-yn-3-ol
CID 102108647
[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
CID 174144544
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane
CID 10333708
3-butan-2-yloxypent-1-yne
CID 89195467
(2R,3S)-2-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
CID 101145508

Frequently Asked Questions

What is the IUPAC name of [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane (CID 24879566) is [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane is C#C[C@@H](CCCC[C@H](C)[C@@H](CC)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is DRFJDAFYOHFFJA-FDFHNCONSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-11-21(16-14-13-15-20(9)22(12-2)23-10)24-25(17(3)4,18(5)6)19(7)8/h1,17-22H,12-16H2,2-10H3/t20-,21-,22+/m0/s1.
What are the key properties of [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane?
[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 368.68 g/mol, XLogP of 6.80, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 24879566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).