(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol

C15H28OSi — CID 11230515

IUPAC(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
SMILESC=CC[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-15(16)10-11-17(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9H2,2-7H3/t15-/m0/s1
InChIKeyKVPSQKNXDKYPMB-HNNXBMFYSA-N
MW252.47 g/mol
LogP4.14
Rot. Bonds5

About (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol

(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol (PubChem CID 11230515) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
PubChem CID11230515
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
SMILESC=CC[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-15(16)10-11-17(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9H2,2-7H3/t15-/m0/s1
InChIKeyKVPSQKNXDKYPMB-HNNXBMFYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol with MolForge

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Related Compounds

5-(Trimethylsilyl)pent-1-en-4-yn-3-ol
CID 19917033
(Z)-5-trimethylsilylpent-4-en-2-ol
CID 11480588
(E)-4-triethylsilylbut-3-en-1-ol
CID 10419938
1-Tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 10515006
(E)-6-trimethylsilylhex-5-en-3-ol
CID 10702355
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
1-Trimethylsilylhex-5-en-1-yn-3-ol
CID 11263728
(3R)-1-(Trimethylsilyl)-5-hexen-1-yn-3-ol
CID 11389632
(2R)-4-trimethylsilylpent-4-en-2-ol
CID 12789108
4-Trimethylsilylhex-5-en-3-ol
CID 12793718
(E)-6-trimethylsilylhex-5-en-3-yn-2-ol
CID 14742097

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol?
The IUPAC name of (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol (CID 11230515) is (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol.
What is the SMILES notation for (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol?
The canonical SMILES for (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol is C=CC[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol?
The InChIKey is KVPSQKNXDKYPMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-9-15(16)10-11-17(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9H2,2-7H3/t15-/m0/s1.
What are the key properties of (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol?
(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol has a molecular weight of 252.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol is sourced from PubChem (CID 11230515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).