3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol

C11H22OSSi — CID 123950670

IUPAC3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol
SMILESC[SiH2]C1(C2CCC(S)C2)CCCCO1
InChIInChI=1S/C11H22OSSi/c1-14-11(6-2-3-7-12-11)9-4-5-10(13)8-9/h9-10,13H,2-8,14H2,1H3
InChIKeyGTLFEIGUKGUWHV-UHFFFAOYSA-N
MW230.45 g/mol
LogP2.20
Rot. Bonds2

About 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol

3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol (PubChem CID 123950670) has the molecular formula C11H22OSSi and a molecular weight of 230.45 g/mol. Its IUPAC name is 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol.

Molecular Properties

Compound Name3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol
PubChem CID123950670
Molecular FormulaC11H22OSSi
Molecular Weight230.45 g/mol
Exact Mass230.12
IUPAC Name3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol
SMILESC[SiH2]C1(C2CCC(S)C2)CCCCO1
InChIInChI=1S/C11H22OSSi/c1-14-11(6-2-3-7-12-11)9-4-5-10(13)8-9/h9-10,13H,2-8,14H2,1H3
InChIKeyGTLFEIGUKGUWHV-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol?
The IUPAC name of 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol (CID 123950670) is 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol.
What is the SMILES notation for 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol?
The canonical SMILES for 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol is C[SiH2]C1(C2CCC(S)C2)CCCCO1.
What is the InChIKey of 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol?
The InChIKey is GTLFEIGUKGUWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSSi/c1-14-11(6-2-3-7-12-11)9-4-5-10(13)8-9/h9-10,13H,2-8,14H2,1H3.
What are the key properties of 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol?
3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol has a molecular weight of 230.45 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsilyloxan-2-yl)cyclopentane-1-thiol is sourced from PubChem (CID 123950670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).