(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol

C18H36O4Si — CID 11727654

IUPAC(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol
SMILESCOCOC[C@@](C)(CCCC#CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-15-18(4,14-21-16-20-5)12-10-8-9-11-13-19/h19H,8,10,12-16H2,1-7H3/t18-/m1/s1
InChIKeyKLIDFJWYDBPDBB-GOSISDBHSA-N
MW344.57 g/mol
LogP3.80
Rot. Bonds10

About (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol

(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol (PubChem CID 11727654) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol.

Molecular Properties

Compound Name(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol
PubChem CID11727654
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol
SMILESCOCOC[C@@](C)(CCCC#CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-15-18(4,14-21-16-20-5)12-10-8-9-11-13-19/h19H,8,10,12-16H2,1-7H3/t18-/m1/s1
InChIKeyKLIDFJWYDBPDBB-GOSISDBHSA-N
XLogP3.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.80
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-2-yn-1-ol
CID 10399504
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
CID 54672543
4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
CID 10667273
(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
CID 102483527
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol?
The IUPAC name of (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol (CID 11727654) is (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol.
What is the SMILES notation for (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol?
The canonical SMILES for (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol is COCOC[C@@](C)(CCCC#CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol?
The InChIKey is KLIDFJWYDBPDBB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-17(2,3)23(6,7)22-15-18(4,14-21-16-20-5)12-10-8-9-11-13-19/h19H,8,10,12-16H2,1-7H3/t18-/m1/s1.
What are the key properties of (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol?
(7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol has a molecular weight of 344.57 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(methoxymethoxy)-7-methyloct-2-yn-1-ol is sourced from PubChem (CID 11727654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).