CID 151540962

C10H19OSSi — CID 151540962

IUPAC—
SMILESCCCCC(CCC)C([Si])C(=O)S
InChIInChI=1S/C10H19OSSi/c1-3-5-7-8(6-4-2)9(13)10(11)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyWMHWCMZFGFJZCS-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.01
Rot. Bonds7

About CID 151540962

CID 151540962 (PubChem CID 151540962) has the molecular formula C10H19OSSi and a molecular weight of 215.41 g/mol.

Molecular Properties

Compound NameCID 151540962
PubChem CID151540962
Molecular FormulaC10H19OSSi
Molecular Weight215.41 g/mol
Exact Mass215.09
IUPAC Name—
SMILESCCCCC(CCC)C([Si])C(=O)S
InChIInChI=1S/C10H19OSSi/c1-3-5-7-8(6-4-2)9(13)10(11)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyWMHWCMZFGFJZCS-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,5-diethylnonane
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methyl 2-methyl-3-propylheptanoate
CID 123579979
6,7-dipropyldodecane
CID 529940
2-(cyclopropanecarbonyl)hexanethioic S-acid
CID 135222737
(2S)-2-hydroxypentanethioic S-acid
CID 87513804
4,5-dipropylnonane;5-propylnonane
CID 157465342
5-butylnonan-4-ol
CID 173066814
2-acetyloctanethioic S-acid
CID 141253674
8-hexyl-7-propyltriacontane
CID 21490607

Frequently Asked Questions

What is the IUPAC name of CID 151540962?
The IUPAC name of CID 151540962 (CID 151540962) is not available.
What is the SMILES notation for CID 151540962?
The canonical SMILES for CID 151540962 is CCCCC(CCC)C([Si])C(=O)S.
What is the InChIKey of CID 151540962?
The InChIKey is WMHWCMZFGFJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19OSSi/c1-3-5-7-8(6-4-2)9(13)10(11)12/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of CID 151540962?
CID 151540962 has a molecular weight of 215.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151540962 is sourced from PubChem (CID 151540962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).