(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol

C9H18OSi — CID 10866775

IUPAC(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol
SMILESC=C1C[C@H](O)[C@H](C)C[Si]1(C)C
InChIInChI=1S/C9H18OSi/c1-7-6-11(3,4)8(2)5-9(7)10/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9+/m1/s1
InChIKeyWRZJOECLJXWTSZ-APPZFPTMSA-N
MW170.33 g/mol
LogP2.19
Rot. Bonds

About (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol

(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol (PubChem CID 10866775) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol.

Molecular Properties

Compound Name(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol
PubChem CID10866775
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol
SMILESC=C1C[C@H](O)[C@H](C)C[Si]1(C)C
InChIInChI=1S/C9H18OSi/c1-7-6-11(3,4)8(2)5-9(7)10/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9+/m1/s1
InChIKeyWRZJOECLJXWTSZ-APPZFPTMSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.19
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 (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol?
The IUPAC name of (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol (CID 10866775) is (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol.
What is the SMILES notation for (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol?
The canonical SMILES for (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol is C=C1C[C@H](O)[C@H](C)C[Si]1(C)C.
What is the InChIKey of (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol?
The InChIKey is WRZJOECLJXWTSZ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H18OSi/c1-7-6-11(3,4)8(2)5-9(7)10/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9+/m1/s1.
What are the key properties of (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol?
(4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol has a molecular weight of 170.33 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,1,5-trimethyl-2-methylidenesilinan-4-ol is sourced from PubChem (CID 10866775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).