(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol

C12H24O2Si — CID 46944427

IUPAC(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol
SMILESCC#C[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h11,13H,9-10H2,1-6H3/t11-/m1/s1
InChIKeySYBYPYJQZFNRPN-LLVKDONJSA-N
MW228.41 g/mol
LogP2.78
Rot. Bonds4

About (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol

(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol (PubChem CID 46944427) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol
PubChem CID46944427
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol
SMILESCC#C[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h11,13H,9-10H2,1-6H3/t11-/m1/s1
InChIKeySYBYPYJQZFNRPN-LLVKDONJSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.78
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

2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 359271
3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)cyclobutanol
CID 57515873
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
1-Butanol, 3-t-butyldimethylsilyloxy-
CID 554645
1-Butanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3R)-
CID 11052750
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-ol
CID 134970975
(S)-4-(tert-butyldimethylsilyloxy)butan-2-ol
CID 10998136
4-((tert-Butyldimethylsilyl)oxy)butan-2-ol
CID 11019995
2-Pentyn-1-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11820573
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol (CID 46944427) is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol is CC#C[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol?
The InChIKey is SYBYPYJQZFNRPN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h11,13H,9-10H2,1-6H3/t11-/m1/s1.
What are the key properties of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol?
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol has a molecular weight of 228.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol is sourced from PubChem (CID 46944427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).