[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate

C42H64O3Si — CID 140827420

IUPAC[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC1CCC(C2CCC(CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C42H64O3Si/c1-6-7-8-9-10-11-12-15-20-35-25-27-36(28-26-35)37-29-31-38(32-30-37)45-41(43)34(2)33-44-46(42(3,4)5,39-21-16-13-17-22-39)40-23-18-14-19-24-40/h13-14,16-19,21-24,35-38H,2,6-12,15,20,25-33H2,1,3-5H3
InChIKeyCQPSZEWGZKSMMS-UHFFFAOYSA-N
MW645.06 g/mol
LogP10.56
Rot. Bonds17

About [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate

[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 140827420) has the molecular formula C42H64O3Si and a molecular weight of 645.06 g/mol. Its IUPAC name is [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Name[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
PubChem CID140827420
Molecular FormulaC42H64O3Si
Molecular Weight645.06 g/mol
Exact Mass644.46
IUPAC Name[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC1CCC(C2CCC(CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C42H64O3Si/c1-6-7-8-9-10-11-12-15-20-35-25-27-36(28-26-35)37-29-31-38(32-30-37)45-41(43)34(2)33-44-46(42(3,4)5,39-21-16-13-17-22-39)40-23-18-14-19-24-40/h13-14,16-19,21-24,35-38H,2,6-12,15,20,25-33H2,1,3-5H3
InChIKeyCQPSZEWGZKSMMS-UHFFFAOYSA-N
XLogP10.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.06
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate with MolForge

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Related Compounds

3-[4-(4-pentylcyclohexyl)cyclohexyl]propyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827410
2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140881260
[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
CID 140827405
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
CID 158898607
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
CID 154446767
(4-pentylcyclohexyl) 4-phenylbenzoate
CID 174910448
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564

Frequently Asked Questions

What is the IUPAC name of [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The IUPAC name of [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate (CID 140827420) is [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The canonical SMILES for [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC1CCC(C2CCC(CCCCCCCCCC)CC2)CC1.
What is the InChIKey of [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The InChIKey is CQPSZEWGZKSMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64O3Si/c1-6-7-8-9-10-11-12-15-20-35-25-27-36(28-26-35)37-29-31-38(32-30-37)45-41(43)34(2)33-44-46(42(3,4)5,39-21-16-13-17-22-39)40-23-18-14-19-24-40/h13-14,16-19,21-24,35-38H,2,6-12,15,20,25-33H2,1,3-5H3.
What are the key properties of [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 645.06 g/mol, XLogP of 10.56, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 140827420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).