(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane

C25H39NO3Si — CID 59300056

IUPAC(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
SMILESCCCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)nc1OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-8-16-27-24-15-14-23(18-29-30(19(2)3,20(4)5)21(6)7)26-25(24)28-17-22-12-10-9-11-13-22/h9-15,19-21H,8,16-18H2,1-7H3
InChIKeyKBBJNBXLVNMXGP-UHFFFAOYSA-N
MW429.68 g/mol
LogP7.14
Rot. Bonds12

About (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane

(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane (PubChem CID 59300056) has the molecular formula C25H39NO3Si and a molecular weight of 429.68 g/mol. Its IUPAC name is (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
PubChem CID59300056
Molecular FormulaC25H39NO3Si
Molecular Weight429.68 g/mol
Exact Mass429.27
IUPAC Name(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
SMILESCCCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)nc1OCc1ccccc1
InChIInChI=1S/C25H39NO3Si/c1-8-16-27-24-15-14-23(18-29-30(19(2)3,20(4)5)21(6)7)26-25(24)28-17-22-12-10-9-11-13-22/h9-15,19-21H,8,16-18H2,1-7H3
InChIKeyKBBJNBXLVNMXGP-UHFFFAOYSA-N
XLogP7.14
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-5-phenylmethoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
CID 131746417
1-phenylmethoxy-4-propoxybenzene
CID 10728874
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
tert-butyl-dimethyl-[2-[(2-methylpropan-2-yl)oxy]ethoxy]silane;2-[(2-methylpropan-2-yl)oxy]ethoxy-tri(propan-2-yl)silane;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-propoxypropane
CID 159572917
2-butoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)pyridine
CID 71733309
2-phenylmethoxy-3-propoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 176548481
1-propoxyethoxymethylbenzene
CID 141304441
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
phosphane;triphenyl-[[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methyl]phosphanium;bromide
CID 174764282
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121

Frequently Asked Questions

What is the IUPAC name of (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane (CID 59300056) is (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane is CCCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)nc1OCc1ccccc1.
What is the InChIKey of (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane?
The InChIKey is KBBJNBXLVNMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO3Si/c1-8-16-27-24-15-14-23(18-29-30(19(2)3,20(4)5)21(6)7)26-25(24)28-17-22-12-10-9-11-13-22/h9-15,19-21H,8,16-18H2,1-7H3.
What are the key properties of (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane?
(6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane has a molecular weight of 429.68 g/mol, XLogP of 7.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylmethoxy-5-propoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 59300056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).