[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane

C22H37ClO4Si — CID 102224181

IUPAC[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane
SMILESCOc1cc(COC2CCCCO2)cc(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H37ClO4Si/c1-15(2)28(16(3)4,17(5)6)27-22-19(23)12-18(13-20(22)24-7)14-26-21-10-8-9-11-25-21/h12-13,15-17,21H,8-11,14H2,1-7H3
InChIKeyFOBCVTLCAMCLFV-UHFFFAOYSA-N
MW429.07 g/mol
LogP6.95
Rot. Bonds9

About [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane

[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane (PubChem CID 102224181) has the molecular formula C22H37ClO4Si and a molecular weight of 429.07 g/mol. Its IUPAC name is [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane
PubChem CID102224181
Molecular FormulaC22H37ClO4Si
Molecular Weight429.07 g/mol
Exact Mass428.21
IUPAC Name[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane
SMILESCOc1cc(COC2CCCCO2)cc(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H37ClO4Si/c1-15(2)28(16(3)4,17(5)6)27-22-19(23)12-18(13-20(22)24-7)14-26-21-10-8-9-11-25-21/h12-13,15-17,21H,8-11,14H2,1-7H3
InChIKeyFOBCVTLCAMCLFV-UHFFFAOYSA-N
XLogP6.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.07
LogP ≤ 56.95
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

2-[[4-(2-bromoethoxy)-3,5-dimethoxyphenyl]methoxy]oxane
CID 71733596
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
2-[[3-methoxy-4-(1,1,2,2-tetradeuterio-2-iodoethoxy)phenyl]methoxy]oxane
CID 101144940
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
CID 22054525
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
CID 101144934
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
2-[2-(4-bromo-2-chloro-5-methoxyphenyl)ethoxy]oxane
CID 162682281
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane (CID 102224181) is [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane is COc1cc(COC2CCCCO2)cc(Cl)c1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane?
The InChIKey is FOBCVTLCAMCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37ClO4Si/c1-15(2)28(16(3)4,17(5)6)27-22-19(23)12-18(13-20(22)24-7)14-26-21-10-8-9-11-25-21/h12-13,15-17,21H,8-11,14H2,1-7H3.
What are the key properties of [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane?
[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane has a molecular weight of 429.07 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 102224181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).