isocyanic acid;pentyl(dipropoxy)silane

C12H27NO3Si — CID 172700048

IUPACisocyanic acid;pentyl(dipropoxy)silane
SMILESCCCCC[SiH](OCCC)OCCC.N=C=O
InChIInChI=1S/C11H26O2Si.CHNO/c1-4-7-8-11-14(12-9-5-2)13-10-6-3;2-1-3/h14H,4-11H2,1-3H3;2H
InChIKeyCVLHLVLVXFLMSA-UHFFFAOYSA-N
MW261.44 g/mol
LogP3.15
Rot. Bonds10

About isocyanic acid;pentyl(dipropoxy)silane

isocyanic acid;pentyl(dipropoxy)silane (PubChem CID 172700048) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is isocyanic acid;pentyl(dipropoxy)silane.

Molecular Properties

Compound Nameisocyanic acid;pentyl(dipropoxy)silane
PubChem CID172700048
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Nameisocyanic acid;pentyl(dipropoxy)silane
SMILESCCCCC[SiH](OCCC)OCCC.N=C=O
InChIInChI=1S/C11H26O2Si.CHNO/c1-4-7-8-11-14(12-9-5-2)13-10-6-3;2-1-3/h14H,4-11H2,1-3H3;2H
InChIKeyCVLHLVLVXFLMSA-UHFFFAOYSA-N
XLogP3.15
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

3-dipentoxysilylpropyl(dipentoxy)silane
CID 123859896
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
3-chloropropyl(dipropoxy)silane
CID 123436656
hexadecane;isocyanic acid
CID 159966047
icosane;isocyanic acid
CID 87494642
heptane;isocyanic acid
CID 87075966
diethoxy(tetracosyl)silane
CID 151502912
dipentoxy(propyl)silane
CID 123345702
dipropoxy(undec-10-enyl)silane
CID 123425466
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
cyclohexane;isocyanic acid;nonadecane
CID 173074334
dimethoxy(nonyl)silane
CID 154057580

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;pentyl(dipropoxy)silane?
The IUPAC name of isocyanic acid;pentyl(dipropoxy)silane (CID 172700048) is isocyanic acid;pentyl(dipropoxy)silane.
What is the SMILES notation for isocyanic acid;pentyl(dipropoxy)silane?
The canonical SMILES for isocyanic acid;pentyl(dipropoxy)silane is CCCCC[SiH](OCCC)OCCC.N=C=O.
What is the InChIKey of isocyanic acid;pentyl(dipropoxy)silane?
The InChIKey is CVLHLVLVXFLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2Si.CHNO/c1-4-7-8-11-14(12-9-5-2)13-10-6-3;2-1-3/h14H,4-11H2,1-3H3;2H.
What are the key properties of isocyanic acid;pentyl(dipropoxy)silane?
isocyanic acid;pentyl(dipropoxy)silane has a molecular weight of 261.44 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;pentyl(dipropoxy)silane is sourced from PubChem (CID 172700048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).