3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate

C43H72O7Si2 — CID 154609875

IUPAC3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)CO)c1OCC
InChIInChI=1S/C43H72O7Si2/c1-9-11-12-15-34-16-18-35(19-17-34)36-20-22-37(23-21-36)38-28-39(51(5,6)26-13-24-49-42(46)32(3)30-44)41(48-10-2)40(29-38)52(7,8)27-14-25-50-43(47)33(4)31-45/h28-29,34-37,44-45H,3-4,9-27,30-31H2,1-2,5-8H3
InChIKeyKCZKSAWAYWYECG-UHFFFAOYSA-N
MW757.21 g/mol
LogP8.54
Rot. Bonds22

About 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate

3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate (PubChem CID 154609875) has the molecular formula C43H72O7Si2 and a molecular weight of 757.21 g/mol. Its IUPAC name is 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Name3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate
PubChem CID154609875
Molecular FormulaC43H72O7Si2
Molecular Weight757.21 g/mol
Exact Mass756.48
IUPAC Name3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)CO)c1OCC
InChIInChI=1S/C43H72O7Si2/c1-9-11-12-15-34-16-18-35(19-17-34)36-20-22-37(23-21-36)38-28-39(51(5,6)26-13-24-49-42(46)32(3)30-44)41(48-10-2)40(29-38)52(7,8)27-14-25-50-43(47)33(4)31-45/h28-29,34-37,44-45H,3-4,9-27,30-31H2,1-2,5-8H3
InChIKeyKCZKSAWAYWYECG-UHFFFAOYSA-N
XLogP8.54
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.21
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate with MolForge

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Related Compounds

3-[4-[2-ethoxy-3-[4-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]phenyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]propyl 2-(hydroxymethyl)prop-2-enoate
CID 154609909
3-[[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate
CID 153276964
1,3-dibromo-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;2,6-dibromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[[3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-dimethylsilyl-2-ethoxy-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilane;4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
CID 160751663
[4-[3-[[3-[dimethyl-[3-[4-(2-methylprop-2-enoyloxy)phenyl]propyl]silyl]-2-(3-hydroxypropoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl]phenyl] 2-methylprop-2-enoate
CID 154609892
2-[3-(2-methoxyethoxy)-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 145275825
[3-[2-(hydroxymethyl)prop-2-enoyloxy]-2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 134246128
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 134244892
[2-[4-(4-heptylcyclohexyl)phenyl]-3-hydroxy-2-methylpropyl] 2-(hydroxymethyl)prop-2-enoate
CID 145411625
3-[2-[5-hydroxy-4-(hydroxymethyl)pentoxy]-3-[3-(2-methylprop-2-enoyloxy)propyl]-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134526946
2-[4-[2-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]cyclohexyl]oxyethyl 2-(hydroxymethyl)prop-2-enoate
CID 139457157
[2-[4-(4-heptylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529321
5-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]pentyl 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]prop-2-enoate
CID 148578510

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate (CID 154609875) is 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate is C=C(CO)C(=O)OCCC[Si](C)(C)c1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc([Si](C)(C)CCCOC(=O)C(=C)CO)c1OCC.
What is the InChIKey of 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate?
The InChIKey is KCZKSAWAYWYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H72O7Si2/c1-9-11-12-15-34-16-18-35(19-17-34)36-20-22-37(23-21-36)38-28-39(51(5,6)26-13-24-49-42(46)32(3)30-44)41(48-10-2)40(29-38)52(7,8)27-14-25-50-43(47)33(4)31-45/h28-29,34-37,44-45H,3-4,9-27,30-31H2,1-2,5-8H3.
What are the key properties of 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate?
3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 757.21 g/mol, XLogP of 8.54, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxy-3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl-dimethylsilyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 154609875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).