(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol

C20H44O2Si — CID 149431725

IUPAC(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol
SMILESCCCCCCCCCCCC(C[C@H](O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(20(2,3)4)17-19(21)22-23(5)6/h18-19,21,23H,7-17H2,1-6H3/t18?,19-/m1/s1
InChIKeyHFDKSTSVWNCOIP-MUMRKEEXSA-N
MW344.66 g/mol
LogP6.28
Rot. Bonds14

About (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol

(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol (PubChem CID 149431725) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol.

Molecular Properties

Compound Name(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol
PubChem CID149431725
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Name(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol
SMILESCCCCCCCCCCCC(C[C@H](O)O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(20(2,3)4)17-19(21)22-23(5)6/h18-19,21,23H,7-17H2,1-6H3/t18?,19-/m1/s1
InChIKeyHFDKSTSVWNCOIP-MUMRKEEXSA-N
XLogP6.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.28
H-Bond Donors ≤ 51
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-tert-butylhenicosane
CID 150708915
6-tert-butylundecane
CID 90714582
2-(2-tert-butyloctyl)propanedioic acid
CID 139415560
potassium;2-(2-tert-butyldecyl)propanedioic acid;hydride
CID 174967968
9-tert-butyl-14-octyldocosane
CID 166495626
1-(2,3,3-trimethylbutan-2-ylperoxy)heptan-1-ol
CID 139970440
2,2-dimethylhexadecane-3,4-diol
CID 103457111
[1,1-bis(dimethylsilyloxy)-1-silyloctan-2-yl]oxy-dimethylsilane
CID 123351404
4-tert-butyldecane-1-thiol
CID 88900785
5-[tris[(2-methylpropan-2-yl)oxy]methyl]tridecane
CID 150125068
(1R)-1-dimethylsilyloxy-4,5,5-trimethylhexan-1-ol
CID 173147823
3-tert-butylnon-1-ynoxy(dimethyl)silane
CID 173374783

Frequently Asked Questions

What is the IUPAC name of (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol?
The IUPAC name of (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol (CID 149431725) is (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol.
What is the SMILES notation for (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol?
The canonical SMILES for (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol is CCCCCCCCCCCC(C[C@H](O)O[SiH](C)C)C(C)(C)C.
What is the InChIKey of (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol?
The InChIKey is HFDKSTSVWNCOIP-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(20(2,3)4)17-19(21)22-23(5)6/h18-19,21,23H,7-17H2,1-6H3/t18?,19-/m1/s1.
What are the key properties of (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol?
(1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol has a molecular weight of 344.66 g/mol, XLogP of 6.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-tert-butyl-1-dimethylsilyloxytetradecan-1-ol is sourced from PubChem (CID 149431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).