(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol

C10H18O2Si — CID 56924135

IUPAC(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-9(11)8-10(12)6-7-13(2,3)4/h5,9-12H,1,8H2,2-4H3/t9-,10+/m1/s1
InChIKeyKFCJHEYEIRBOSM-ZJUUUORDSA-N
MW198.34 g/mol
LogP1.17
Rot. Bonds3

About (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol

(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol (PubChem CID 56924135) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol.

Molecular Properties

Compound Name(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol
PubChem CID56924135
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-9(11)8-10(12)6-7-13(2,3)4/h5,9-12H,1,8H2,2-4H3/t9-,10+/m1/s1
InChIKeyKFCJHEYEIRBOSM-ZJUUUORDSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The IUPAC name of (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol (CID 56924135) is (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol.
What is the SMILES notation for (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The canonical SMILES for (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol is C=C[C@@H](O)C[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
The InChIKey is KFCJHEYEIRBOSM-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-5-9(11)8-10(12)6-7-13(2,3)4/h5,9-12H,1,8H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol?
(3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol has a molecular weight of 198.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-7-trimethylsilylhept-1-en-6-yne-3,5-diol is sourced from PubChem (CID 56924135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).