(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

US11559538, Example 121
CID 148582365
US11559538, Example 156
CID 152266760
US11559538, Example 155
CID 146958572
US11559538, Example 120
CID 149933701
2,3-dimethoxy-6-[(E)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethenyl]pyridine
CID 127035371
2-(4-Methoxyphenyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 145992840
3-Methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
CID 72903114
2-Fluoro-3-(octyloxy)-6-[4-(octyloxy)phenyl]pyridine
CID 19046959
3-Benzyloxy-2,6-bis(hydroxymethyl)pyridine
CID 12397255
2,3-Dimethyl-6-(phenoxymethyl)pyridine
CID 17805137
2-Fluoro-3-octoxy-6-[4-[(3-pentyloxiran-2-yl)methoxy]phenyl]pyridine
CID 19046931
2-Fluoro-6-(4-octoxyphenyl)-3-[(3-pentyloxiran-2-yl)methoxy]pyridine
CID 19046943

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).