dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate

C60H66O10Si — CID 91015526

IUPACdimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)c4ccc(OCCCCOC(=O)C=C)cc4)ccc3c2)cc1.CCC=CC[Si](C)(C)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H36O9.C22H30OSi/c1-3-35(39)45-23-7-5-21-43-32-16-11-27(12-17-32)37(41)31-10-9-30-26-34(20-15-29(30)25-31)47-38(42)28-13-18-33(19-14-28)44-22-6-8-24-46-36(40)4-2;1-4-5-9-18-24(2,3)19-10-17-23-22-15-13-21(14-16-22)20-11-7-6-8-12-20/h3-4,9-20,25-26H,1-2,5-8,21-24H2;5-9,11-16H,4,10,17-19H2,1-3H3
InChIKeyAXAIUHXWVDPUPX-UHFFFAOYSA-N
MW975.26 g/mol
LogP13.86
Rot. Bonds27

About dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate

dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate (PubChem CID 91015526) has the molecular formula C60H66O10Si and a molecular weight of 975.26 g/mol. Its IUPAC name is dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate.

Molecular Properties

Compound Namedimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
PubChem CID91015526
Molecular FormulaC60H66O10Si
Molecular Weight975.26 g/mol
Exact Mass974.44
IUPAC Namedimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)c4ccc(OCCCCOC(=O)C=C)cc4)ccc3c2)cc1.CCC=CC[Si](C)(C)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H36O9.C22H30OSi/c1-3-35(39)45-23-7-5-21-43-32-16-11-27(12-17-32)37(41)31-10-9-30-26-34(20-15-29(30)25-31)47-38(42)28-13-18-33(19-14-28)44-22-6-8-24-46-36(40)4-2;1-4-5-9-18-24(2,3)19-10-17-23-22-15-13-21(14-16-22)20-11-7-6-8-12-20/h3-4,9-20,25-26H,1-2,5-8,21-24H2;5-9,11-16H,4,10,17-19H2,1-3H3
InChIKeyAXAIUHXWVDPUPX-UHFFFAOYSA-N
XLogP13.86
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.26
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-phenylbenzoate
CID 118880201
(3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;4-(4-acetylphenoxy)butyl prop-2-enoate;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 90954978
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
[(2S)-1-ethoxy-1-oxopropan-2-yl] 4-[4-[4-(9-prop-2-enoyloxynonoxy)benzoyl]oxyphenyl]benzoate
CID 91499835
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717
[4-(4-methanimidoylphenyl)phenyl] prop-2-enoate;[4-(4-octoxybenzoyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 90704922
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[4-(6-bromohexoxy)phenyl]benzoate
CID 102233914
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
[7-methyl-6-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxynaphthalen-2-yl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 122665042
[4-(4-cyanophenyl)phenyl] 4-[5-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100958797

Frequently Asked Questions

What is the IUPAC name of dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The IUPAC name of dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate (CID 91015526) is dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate.
What is the SMILES notation for dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The canonical SMILES for dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate is C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)c4ccc(OCCCCOC(=O)C=C)cc4)ccc3c2)cc1.CCC=CC[Si](C)(C)CCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
The InChIKey is AXAIUHXWVDPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36O9.C22H30OSi/c1-3-35(39)45-23-7-5-21-43-32-16-11-27(12-17-32)37(41)31-10-9-30-26-34(20-15-29(30)25-31)47-38(42)28-13-18-33(19-14-28)44-22-6-8-24-46-36(40)4-2;1-4-5-9-18-24(2,3)19-10-17-23-22-15-13-21(14-16-22)20-11-7-6-8-12-20/h3-4,9-20,25-26H,1-2,5-8,21-24H2;5-9,11-16H,4,10,17-19H2,1-3H3.
What are the key properties of dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate?
dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate has a molecular weight of 975.26 g/mol, XLogP of 13.86, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pent-2-enyl-[3-(4-phenylphenoxy)propyl]silane;[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]naphthalen-2-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate is sourced from PubChem (CID 91015526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).