(1,1,5-trimethylsilinan-3-yl)methanol

C9H20OSi — CID 19598536

IUPAC(1,1,5-trimethylsilinan-3-yl)methanol
SMILESCC1CC(CO)C[Si](C)(C)C1
InChIInChI=1S/C9H20OSi/c1-8-4-9(5-10)7-11(2,3)6-8/h8-10H,4-7H2,1-3H3
InChIKeyASBCMYJQFXYFRJ-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.34
Rot. Bonds1

About (1,1,5-trimethylsilinan-3-yl)methanol

(1,1,5-trimethylsilinan-3-yl)methanol (PubChem CID 19598536) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is (1,1,5-trimethylsilinan-3-yl)methanol.

Molecular Properties

Compound Name(1,1,5-trimethylsilinan-3-yl)methanol
PubChem CID19598536
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(1,1,5-trimethylsilinan-3-yl)methanol
SMILESCC1CC(CO)C[Si](C)(C)C1
InChIInChI=1S/C9H20OSi/c1-8-4-9(5-10)7-11(2,3)6-8/h8-10H,4-7H2,1-3H3
InChIKeyASBCMYJQFXYFRJ-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.34
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 (1,1,5-trimethylsilinan-3-yl)methanol?
The IUPAC name of (1,1,5-trimethylsilinan-3-yl)methanol (CID 19598536) is (1,1,5-trimethylsilinan-3-yl)methanol.
What is the SMILES notation for (1,1,5-trimethylsilinan-3-yl)methanol?
The canonical SMILES for (1,1,5-trimethylsilinan-3-yl)methanol is CC1CC(CO)C[Si](C)(C)C1.
What is the InChIKey of (1,1,5-trimethylsilinan-3-yl)methanol?
The InChIKey is ASBCMYJQFXYFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8-4-9(5-10)7-11(2,3)6-8/h8-10H,4-7H2,1-3H3.
What are the key properties of (1,1,5-trimethylsilinan-3-yl)methanol?
(1,1,5-trimethylsilinan-3-yl)methanol has a molecular weight of 172.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,5-trimethylsilinan-3-yl)methanol is sourced from PubChem (CID 19598536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).