(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol

C10H18OSi — CID 10921159

IUPAC(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
SMILESC=CC[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,10-11H,1,7-8H2,2-4H3/t10-/m0/s1
InChIKeyPWDBMIJSPHFHQI-JTQLQIEISA-N
MW182.34 g/mol
LogP2.19
Rot. Bonds3

About (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol

(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol (PubChem CID 10921159) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol.

Molecular Properties

Compound Name(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
PubChem CID10921159
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
SMILESC=CC[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,10-11H,1,7-8H2,2-4H3/t10-/m0/s1
InChIKeyPWDBMIJSPHFHQI-JTQLQIEISA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.19
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'}

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Related Compounds

(Z)-5-trimethylsilylpent-4-en-2-ol
CID 11480588
(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
1-Tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 10515006
(E)-6-trimethylsilylhex-5-en-3-ol
CID 10702355
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(4R)-undec-1-en-5-yn-4-ol
CID 11159528
(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 11230515
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)-1,3-bis(trimethylsilyl)hept-1-en-4-ol
CID 15570156

Frequently Asked Questions

What is the IUPAC name of (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol?
The IUPAC name of (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol (CID 10921159) is (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol.
What is the SMILES notation for (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol?
The canonical SMILES for (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol is C=CC[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol?
The InChIKey is PWDBMIJSPHFHQI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,10-11H,1,7-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol?
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol has a molecular weight of 182.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-trimethylsilylhept-1-en-6-yn-4-ol is sourced from PubChem (CID 10921159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).