CID 136913587

C9H18O2Si — CID 136913587

IUPAC—
SMILESC=C(C)[Si]OCCOCCCC
InChIInChI=1S/C9H18O2Si/c1-4-5-6-10-7-8-11-12-9(2)3/h2,4-8H2,1,3H3
InChIKeyWAEOWYQQXFXGPN-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.97
Rot. Bonds8

About CID 136913587

CID 136913587 (PubChem CID 136913587) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol.

Molecular Properties

Compound NameCID 136913587
PubChem CID136913587
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name—
SMILESC=C(C)[Si]OCCOCCCC
InChIInChI=1S/C9H18O2Si/c1-4-5-6-10-7-8-11-12-9(2)3/h2,4-8H2,1,3H3
InChIKeyWAEOWYQQXFXGPN-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.97
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'}

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Related Compounds

1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
ethane;1-(2-propoxyethoxy)butane
CID 164535746
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
1-butoxybutane;propan-2-one
CID 18424800
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396

Frequently Asked Questions

What is the IUPAC name of CID 136913587?
The IUPAC name of CID 136913587 (CID 136913587) is not available.
What is the SMILES notation for CID 136913587?
The canonical SMILES for CID 136913587 is C=C(C)[Si]OCCOCCCC.
What is the InChIKey of CID 136913587?
The InChIKey is WAEOWYQQXFXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-4-5-6-10-7-8-11-12-9(2)3/h2,4-8H2,1,3H3.
What are the key properties of CID 136913587?
CID 136913587 has a molecular weight of 186.33 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913587 is sourced from PubChem (CID 136913587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).