methyl N-(4-diethoxysilylhexyl)carbamate

C12H27NO4Si — CID 154100096

IUPACmethyl N-(4-diethoxysilylhexyl)carbamate
SMILESCCO[SiH](OCC)C(CC)CCCNC(=O)OC
InChIInChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13-12(14)15-4/h11,18H,5-10H2,1-4H3,(H,13,14)
InChIKeyXXAFMSDBQXINPC-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.20
Rot. Bonds10

About methyl N-(4-diethoxysilylhexyl)carbamate

methyl N-(4-diethoxysilylhexyl)carbamate (PubChem CID 154100096) has the molecular formula C12H27NO4Si and a molecular weight of 277.44 g/mol. Its IUPAC name is methyl N-(4-diethoxysilylhexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-diethoxysilylhexyl)carbamate
PubChem CID154100096
Molecular FormulaC12H27NO4Si
Molecular Weight277.44 g/mol
Exact Mass277.17
IUPAC Namemethyl N-(4-diethoxysilylhexyl)carbamate
SMILESCCO[SiH](OCC)C(CC)CCCNC(=O)OC
InChIInChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13-12(14)15-4/h11,18H,5-10H2,1-4H3,(H,13,14)
InChIKeyXXAFMSDBQXINPC-UHFFFAOYSA-N
XLogP2.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.20
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'}

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Related Compounds

methyl N-(3-diethoxysilylpentyl)carbamate
CID 154173330
ethyl N-(5-diethoxysilylheptyl)carbamate
CID 154096304
methyl N-(4-methylhexyl)carbamate
CID 126664152
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
5-diethoxysilylheptan-1-amine
CID 154490581
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
methyl N-nonylcarbamate
CID 5102101
methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
CID 146507765
methyl N-[7-(methoxycarbonylamino)-2-methylheptan-3-yl]carbamate
CID 140837720

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-diethoxysilylhexyl)carbamate?
The IUPAC name of methyl N-(4-diethoxysilylhexyl)carbamate (CID 154100096) is methyl N-(4-diethoxysilylhexyl)carbamate.
What is the SMILES notation for methyl N-(4-diethoxysilylhexyl)carbamate?
The canonical SMILES for methyl N-(4-diethoxysilylhexyl)carbamate is CCO[SiH](OCC)C(CC)CCCNC(=O)OC.
What is the InChIKey of methyl N-(4-diethoxysilylhexyl)carbamate?
The InChIKey is XXAFMSDBQXINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13-12(14)15-4/h11,18H,5-10H2,1-4H3,(H,13,14).
What are the key properties of methyl N-(4-diethoxysilylhexyl)carbamate?
methyl N-(4-diethoxysilylhexyl)carbamate has a molecular weight of 277.44 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-diethoxysilylhexyl)carbamate is sourced from PubChem (CID 154100096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).