ethyl N-(5-diethoxysilylheptyl)carbamate

C14H31NO4Si — CID 154096304

IUPACethyl N-(5-diethoxysilylheptyl)carbamate
SMILESCCOC(=O)NCCCCC(CC)[SiH](OCC)OCC
InChIInChI=1S/C14H31NO4Si/c1-5-13(20(18-7-3)19-8-4)11-9-10-12-15-14(16)17-6-2/h13,20H,5-12H2,1-4H3,(H,15,16)
InChIKeyBAMNTWRNZWKYNU-UHFFFAOYSA-N
MW305.49 g/mol
LogP2.98
Rot. Bonds12

About ethyl N-(5-diethoxysilylheptyl)carbamate

ethyl N-(5-diethoxysilylheptyl)carbamate (PubChem CID 154096304) has the molecular formula C14H31NO4Si and a molecular weight of 305.49 g/mol. Its IUPAC name is ethyl N-(5-diethoxysilylheptyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-diethoxysilylheptyl)carbamate
PubChem CID154096304
Molecular FormulaC14H31NO4Si
Molecular Weight305.49 g/mol
Exact Mass305.20
IUPAC Nameethyl N-(5-diethoxysilylheptyl)carbamate
SMILESCCOC(=O)NCCCCC(CC)[SiH](OCC)OCC
InChIInChI=1S/C14H31NO4Si/c1-5-13(20(18-7-3)19-8-4)11-9-10-12-15-14(16)17-6-2/h13,20H,5-12H2,1-4H3,(H,15,16)
InChIKeyBAMNTWRNZWKYNU-UHFFFAOYSA-N
XLogP2.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.98
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-(4-diethoxysilylhexyl)carbamate
CID 154100096
methyl N-(3-diethoxysilylpentyl)carbamate
CID 154173330
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
5-diethoxysilylheptan-1-amine
CID 154490581
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-(2-diethoxysilylpropyl)carbamate
CID 154255932
5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
ethyl N-(6-bromohexyl)carbamate
CID 87279639
3-(ethoxycarbonylamino)propyl ethyl carbonate
CID 91713462
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
ethyl N-(5-oxopentyl)carbamate
CID 58601506

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-diethoxysilylheptyl)carbamate?
The IUPAC name of ethyl N-(5-diethoxysilylheptyl)carbamate (CID 154096304) is ethyl N-(5-diethoxysilylheptyl)carbamate.
What is the SMILES notation for ethyl N-(5-diethoxysilylheptyl)carbamate?
The canonical SMILES for ethyl N-(5-diethoxysilylheptyl)carbamate is CCOC(=O)NCCCCC(CC)[SiH](OCC)OCC.
What is the InChIKey of ethyl N-(5-diethoxysilylheptyl)carbamate?
The InChIKey is BAMNTWRNZWKYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4Si/c1-5-13(20(18-7-3)19-8-4)11-9-10-12-15-14(16)17-6-2/h13,20H,5-12H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-(5-diethoxysilylheptyl)carbamate?
ethyl N-(5-diethoxysilylheptyl)carbamate has a molecular weight of 305.49 g/mol, XLogP of 2.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-diethoxysilylheptyl)carbamate is sourced from PubChem (CID 154096304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).