(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid

C25H35NO3Si — CID 10320222

IUPAC(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(/C(=C/CCCCC(=O)O)c2cccnc2)cc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-19-20-13-15-21(16-14-20)23(22-10-9-17-26-18-22)11-7-6-8-12-24(27)28/h9-11,13-18H,6-8,12,19H2,1-5H3,(H,27,28)/b23-11-
InChIKeyNOGYDWWTVIVYSQ-KSEXSDGBSA-N
MW425.65 g/mol
LogP6.68
Rot. Bonds10

About (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid

(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid (PubChem CID 10320222) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
PubChem CID10320222
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Name(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(/C(=C/CCCCC(=O)O)c2cccnc2)cc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-19-20-13-15-21(16-14-20)23(22-10-9-17-26-18-22)11-7-6-8-12-24(27)28/h9-11,13-18H,6-8,12,19H2,1-5H3,(H,27,28)/b23-11-
InChIKeyNOGYDWWTVIVYSQ-KSEXSDGBSA-N
XLogP6.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
CID 23302942
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
(E)-7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
CID 13417273
(E)-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13285833
(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10002804
6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54460875
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
methyl (Z)-7-(4-nitrophenyl)-7-pyridin-3-ylhept-6-enoate
CID 10020139
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid?
The IUPAC name of (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid (CID 10320222) is (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid.
What is the SMILES notation for (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid?
The canonical SMILES for (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid is CC(C)(C)[Si](C)(C)OCc1ccc(/C(=C/CCCCC(=O)O)c2cccnc2)cc1.
What is the InChIKey of (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid?
The InChIKey is NOGYDWWTVIVYSQ-KSEXSDGBSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-19-20-13-15-21(16-14-20)23(22-10-9-17-26-18-22)11-7-6-8-12-24(27)28/h9-11,13-18H,6-8,12,19H2,1-5H3,(H,27,28)/b23-11-.
What are the key properties of (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid?
(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid has a molecular weight of 425.65 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid is sourced from PubChem (CID 10320222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).