(3S)-2-trimethylsilylhex-1-en-3-ol

C9H20OSi — CID 134939273

IUPAC(3S)-2-trimethylsilylhex-1-en-3-ol
SMILESC=C([C@@H](O)CCC)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-7-9(10)8(2)11(3,4)5/h9-10H,2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyMUJHREWKMJFQBJ-VIFPVBQESA-N
MW172.34 g/mol
LogP2.58
Rot. Bonds4

About (3S)-2-trimethylsilylhex-1-en-3-ol

(3S)-2-trimethylsilylhex-1-en-3-ol (PubChem CID 134939273) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is (3S)-2-trimethylsilylhex-1-en-3-ol.

Molecular Properties

Compound Name(3S)-2-trimethylsilylhex-1-en-3-ol
PubChem CID134939273
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(3S)-2-trimethylsilylhex-1-en-3-ol
SMILESC=C([C@@H](O)CCC)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-7-9(10)8(2)11(3,4)5/h9-10H,2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyMUJHREWKMJFQBJ-VIFPVBQESA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-trimethylsilylhex-1-en-3-ol?
The IUPAC name of (3S)-2-trimethylsilylhex-1-en-3-ol (CID 134939273) is (3S)-2-trimethylsilylhex-1-en-3-ol.
What is the SMILES notation for (3S)-2-trimethylsilylhex-1-en-3-ol?
The canonical SMILES for (3S)-2-trimethylsilylhex-1-en-3-ol is C=C([C@@H](O)CCC)[Si](C)(C)C.
What is the InChIKey of (3S)-2-trimethylsilylhex-1-en-3-ol?
The InChIKey is MUJHREWKMJFQBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20OSi/c1-6-7-9(10)8(2)11(3,4)5/h9-10H,2,6-7H2,1,3-5H3/t9-/m0/s1.
What are the key properties of (3S)-2-trimethylsilylhex-1-en-3-ol?
(3S)-2-trimethylsilylhex-1-en-3-ol has a molecular weight of 172.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-trimethylsilylhex-1-en-3-ol is sourced from PubChem (CID 134939273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).