CID 136913463

C10H21O3Si — CID 136913463

IUPAC—
SMILESCCC(C)O[Si](OC(C)=O)C(C)CC
InChIInChI=1S/C10H21O3Si/c1-6-8(3)12-14(9(4)7-2)13-10(5)11/h8-9H,6-7H2,1-5H3
InChIKeyOSAHCVPTZPORMA-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.65
Rot. Bonds6

About CID 136913463

CID 136913463 (PubChem CID 136913463) has the molecular formula C10H21O3Si and a molecular weight of 217.36 g/mol.

Molecular Properties

Compound NameCID 136913463
PubChem CID136913463
Molecular FormulaC10H21O3Si
Molecular Weight217.36 g/mol
Exact Mass217.13
IUPAC Name—
SMILESCCC(C)O[Si](OC(C)=O)C(C)CC
InChIInChI=1S/C10H21O3Si/c1-6-8(3)12-14(9(4)7-2)13-10(5)11/h8-9H,6-7H2,1-5H3
InChIKeyOSAHCVPTZPORMA-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 136913426
CID 136913426
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
potassium butan-2-yloxymethanethioate
CID 23694861
CID 21266980
CID 21266980
butan-2-one;2-hydroperoxybutane
CID 162156312
dipotassium;butan-2-yl phosphate
CID 21353345
sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
butan-2-yl acetate;prop-2-enoic acid
CID 167635036
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
3-butan-2-yloxypropyl acetate
CID 134215719
bis(butan-2-yl 3-oxobutaneperoxoate);titanium
CID 159822417

Frequently Asked Questions

What is the IUPAC name of CID 136913463?
The IUPAC name of CID 136913463 (CID 136913463) is not available.
What is the SMILES notation for CID 136913463?
The canonical SMILES for CID 136913463 is CCC(C)O[Si](OC(C)=O)C(C)CC.
What is the InChIKey of CID 136913463?
The InChIKey is OSAHCVPTZPORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3Si/c1-6-8(3)12-14(9(4)7-2)13-10(5)11/h8-9H,6-7H2,1-5H3.
What are the key properties of CID 136913463?
CID 136913463 has a molecular weight of 217.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913463 is sourced from PubChem (CID 136913463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).