CID 136913601

C8H16O2Si — CID 136913601

IUPAC—
SMILESC=CC[Si]OCCOCCC
InChIInChI=1S/C8H16O2Si/c1-3-5-9-6-7-10-11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKeyFGSAMPGWBXWFCI-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.65
Rot. Bonds8

About CID 136913601

CID 136913601 (PubChem CID 136913601) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol.

Molecular Properties

Compound NameCID 136913601
PubChem CID136913601
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name—
SMILESC=CC[Si]OCCOCCC
InChIInChI=1S/C8H16O2Si/c1-3-5-9-6-7-10-11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKeyFGSAMPGWBXWFCI-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162352788
CID 162352788
CID 136913604
CID 136913604
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
prop-2-enyl 2-propoxyethyl sulfate
CID 87060829
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
CID 136849473
CID 136849473
CID 136849343
CID 136849343
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
CID 136913499
CID 136913499
CID 54538570
CID 54538570

Frequently Asked Questions

What is the IUPAC name of CID 136913601?
The IUPAC name of CID 136913601 (CID 136913601) is not available.
What is the SMILES notation for CID 136913601?
The canonical SMILES for CID 136913601 is C=CC[Si]OCCOCCC.
What is the InChIKey of CID 136913601?
The InChIKey is FGSAMPGWBXWFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-3-5-9-6-7-10-11-8-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of CID 136913601?
CID 136913601 has a molecular weight of 172.30 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913601 is sourced from PubChem (CID 136913601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).