CID 22408840

C9H11Si — CID 22408840

IUPAC—
SMILESCCC#CC([Si])C#CCC
InChIInChI=1S/C9H11Si/c1-3-5-7-9(10)8-6-4-2/h9H,3-4H2,1-2H3
InChIKeyUSVNGHXFZDZMEI-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.77
Rot. Bonds

About CID 22408840

CID 22408840 (PubChem CID 22408840) has the molecular formula C9H11Si and a molecular weight of 147.27 g/mol.

Molecular Properties

Compound NameCID 22408840
PubChem CID22408840
Molecular FormulaC9H11Si
Molecular Weight147.27 g/mol
Exact Mass147.06
IUPAC Name—
SMILESCCC#CC([Si])C#CCC
InChIInChI=1S/C9H11Si/c1-3-5-7-9(10)8-6-4-2/h9H,3-4H2,1-2H3
InChIKeyUSVNGHXFZDZMEI-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 7010447
5,6,7-trimethyloct-3-yne
CID 123456158
(2S)-hept-4-yn-2-ol
CID 7568791
5-methoxy-6-methylhept-3-yne
CID 160743757
dec-5-en-3,7-diyne
CID 72728474
hex-3-yne-2-sulfinate
CID 91139894
oct-5-yne-1,4-diol
CID 23328891
1-cyclohexylpent-2-yn-1-ol
CID 177314647
ethane;pent-2-yne
CID 165013869
2-ethylhept-4-yn-1-ol
CID 90736610
6-but-2-ynylundeca-3,7-diyne
CID 173369123
1-hydroxypent-2-ynyl 2-methylpropanoate
CID 151079587

Frequently Asked Questions

What is the IUPAC name of CID 22408840?
The IUPAC name of CID 22408840 (CID 22408840) is not available.
What is the SMILES notation for CID 22408840?
The canonical SMILES for CID 22408840 is CCC#CC([Si])C#CCC.
What is the InChIKey of CID 22408840?
The InChIKey is USVNGHXFZDZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Si/c1-3-5-7-9(10)8-6-4-2/h9H,3-4H2,1-2H3.
What are the key properties of CID 22408840?
CID 22408840 has a molecular weight of 147.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22408840 is sourced from PubChem (CID 22408840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).