(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol

C9H20OSi — CID 10877610

IUPAC(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol
SMILESC=C(C[C@H](C)O)C[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(6-9(2)10)7-11(3,4)5/h9-10H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyFRFKGQMKRMYBKH-VIFPVBQESA-N
MW172.34 g/mol
LogP2.65
Rot. Bonds4

About (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol

(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol (PubChem CID 10877610) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol
PubChem CID10877610
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol
SMILESC=C(C[C@H](C)O)C[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(6-9(2)10)7-11(3,4)5/h9-10H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyFRFKGQMKRMYBKH-VIFPVBQESA-N
XLogP2.65
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 ≤ 52.65
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol?
The IUPAC name of (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol (CID 10877610) is (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol.
What is the SMILES notation for (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol?
The canonical SMILES for (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol is C=C(C[C@H](C)O)C[Si](C)(C)C.
What is the InChIKey of (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol?
The InChIKey is FRFKGQMKRMYBKH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20OSi/c1-8(6-9(2)10)7-11(3,4)5/h9-10H,1,6-7H2,2-5H3/t9-/m0/s1.
What are the key properties of (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol?
(2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol has a molecular weight of 172.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(trimethylsilylmethyl)pent-4-en-2-ol is sourced from PubChem (CID 10877610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).