6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate

C37H59NO8Si — CID 70022186

IUPAC6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCCCCCOc1ccc2cc(/C=C/C(=O)OCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC)ccc2c1
InChIInChI=1S/C37H59NO8Si/c1-5-9-10-11-12-15-26-41-35-23-22-33-30-32(19-21-34(33)31-35)20-24-36(39)42-27-16-13-14-17-28-43-37(40)38-25-18-29-47(44-6-2,45-7-3)46-8-4/h19-24,30-31H,5-18,25-29H2,1-4H3,(H,38,40)/b24-20+
InChIKeyODSXUPILXQZEOR-HIXSDJFHSA-N
MW673.96 g/mol
LogP8.86
Rot. Bonds27

About 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate

6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 70022186) has the molecular formula C37H59NO8Si and a molecular weight of 673.96 g/mol. Its IUPAC name is 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate
PubChem CID70022186
Molecular FormulaC37H59NO8Si
Molecular Weight673.96 g/mol
Exact Mass673.40
IUPAC Name6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate
SMILESCCCCCCCCOc1ccc2cc(/C=C/C(=O)OCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC)ccc2c1
InChIInChI=1S/C37H59NO8Si/c1-5-9-10-11-12-15-26-41-35-23-22-33-30-32(19-21-34(33)31-35)20-24-36(39)42-27-16-13-14-17-28-43-37(40)38-25-18-29-47(44-6-2,45-7-3)46-8-4/h19-24,30-31H,5-18,25-29H2,1-4H3,(H,38,40)/b24-20+
InChIKeyODSXUPILXQZEOR-HIXSDJFHSA-N
XLogP8.86
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.96
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-triethoxysilylpropylcarbamoyloxy)pentyl (E)-3-(6-heptoxynaphthalen-2-yl)prop-2-enoate
CID 70023865
6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(3-methoxy-4-octoxyphenyl)prop-2-enoate
CID 140988134
6-(2-triethoxysilylethylcarbamoyloxy)hexyl (E)-3-[6-[(4-propylcyclohexyl)methoxy]naphthalen-2-yl]prop-2-enoate
CID 67672608
methyl 3-[4-ethoxy-3-[6-(3-triethoxysilylpropylcarbamoyloxy)hexoxy]phenyl]prop-2-enoate
CID 54339385
(3-triethoxysilylpropylamino) (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 102012373
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
4-[4-[6-(3-triethoxysilylpropylcarbamoyloxy)hexoxy]phenyl]but-2-enoic acid
CID 174373801
2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 101027056
4-[4-pentoxy-3-[6-(3-triethoxysilylpropylcarbamoyloxy)hexoxy]phenyl]but-2-enoic acid
CID 174362404
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
6-triethoxysilylhexyl (E)-3-[4-(4-methoxy-3-octoxyphenyl)phenyl]prop-2-enoate
CID 140988143

Frequently Asked Questions

What is the IUPAC name of 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate (CID 70022186) is 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate is CCCCCCCCOc1ccc2cc(/C=C/C(=O)OCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC)ccc2c1.
What is the InChIKey of 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is ODSXUPILXQZEOR-HIXSDJFHSA-N. The full InChI is InChI=1S/C37H59NO8Si/c1-5-9-10-11-12-15-26-41-35-23-22-33-30-32(19-21-34(33)31-35)20-24-36(39)42-27-16-13-14-17-28-43-37(40)38-25-18-29-47(44-6-2,45-7-3)46-8-4/h19-24,30-31H,5-18,25-29H2,1-4H3,(H,38,40)/b24-20+.
What are the key properties of 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate?
6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 673.96 g/mol, XLogP of 8.86, 27 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-triethoxysilylpropylcarbamoyloxy)hexyl (E)-3-(6-octoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 70022186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).