(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol

C12H21F3OSi — CID 141283509

IUPAC(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
SMILESCC(C)C[C@](O)(CC#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F3OSi/c1-10(2)9-11(16,12(13,14)15)7-6-8-17(3,4)5/h10,16H,7,9H2,1-5H3/t11-/m1/s1
InChIKeyBVWOTEISPPIJFX-LLVKDONJSA-N
MW266.38 g/mol
LogP3.60
Rot. Bonds3

About (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol

(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol (PubChem CID 141283509) has the molecular formula C12H21F3OSi and a molecular weight of 266.38 g/mol. Its IUPAC name is (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol.

Molecular Properties

Compound Name(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
PubChem CID141283509
Molecular FormulaC12H21F3OSi
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
SMILESCC(C)C[C@](O)(CC#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F3OSi/c1-10(2)9-11(16,12(13,14)15)7-6-8-17(3,4)5/h10,16H,7,9H2,1-5H3/t11-/m1/s1
InChIKeyBVWOTEISPPIJFX-LLVKDONJSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-Cyclopropyl-1,1,1-trifluoro-4-(triisopropylsilyl)but-3-yn-2-ol
CID 59774929
(4R)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 141283508
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
1-[1,1-Difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclopentan-1-ol
CID 11209296
4,4-Difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 15495759
4,4-Difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-(2-Trimethylsilylethynyl)hept-1-yn-4-ol
CID 53859588

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol?
The IUPAC name of (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol (CID 141283509) is (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol.
What is the SMILES notation for (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol?
The canonical SMILES for (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol is CC(C)C[C@](O)(CC#C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol?
The InChIKey is BVWOTEISPPIJFX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21F3OSi/c1-10(2)9-11(16,12(13,14)15)7-6-8-17(3,4)5/h10,16H,7,9H2,1-5H3/t11-/m1/s1.
What are the key properties of (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol?
(4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol has a molecular weight of 266.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-4-(trifluoromethyl)-1-trimethylsilylhept-1-yn-4-ol is sourced from PubChem (CID 141283509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).