propan-2-one;silinane

C8H18OSi — CID 175422276

IUPACpropan-2-one;silinane
SMILESC1CC[SiH2]CC1.CC(C)=O
InChIInChI=1S/C5H12Si.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-6H2;1-2H3
InChIKeyKOVGNNSKGRXHAP-UHFFFAOYSA-N
MW158.32 g/mol
LogP1.77
Rot. Bonds

About propan-2-one;silinane

propan-2-one;silinane (PubChem CID 175422276) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is propan-2-one;silinane.

Molecular Properties

Compound Namepropan-2-one;silinane
PubChem CID175422276
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Namepropan-2-one;silinane
SMILESC1CC[SiH2]CC1.CC(C)=O
InChIInChI=1S/C5H12Si.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-6H2;1-2H3
InChIKeyKOVGNNSKGRXHAP-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
silver bis(propan-2-one)
CID 71340648
propan-2-one;zirconium
CID 87087539
nickel;tris(propan-2-one)
CID 175333114
tetrakis(cyclohexane);methyl acetate
CID 159246653
bromoform;propan-2-one
CID 174299446

Frequently Asked Questions

What is the IUPAC name of propan-2-one;silinane?
The IUPAC name of propan-2-one;silinane (CID 175422276) is propan-2-one;silinane.
What is the SMILES notation for propan-2-one;silinane?
The canonical SMILES for propan-2-one;silinane is C1CC[SiH2]CC1.CC(C)=O.
What is the InChIKey of propan-2-one;silinane?
The InChIKey is KOVGNNSKGRXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Si.C3H6O/c1-2-4-6-5-3-1;1-3(2)4/h1-6H2;1-2H3.
What are the key properties of propan-2-one;silinane?
propan-2-one;silinane has a molecular weight of 158.32 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;silinane is sourced from PubChem (CID 175422276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).