[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol

C29H35ClO2Si — CID 140793016

IUPAC[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol
SMILESCC(C)(C)[Si](OCCCC1(c2ccc(Cl)c(CO)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35ClO2Si/c1-28(2,3)33(25-11-6-4-7-12-25,26-13-8-5-9-14-26)32-20-10-17-29(18-19-29)24-15-16-27(30)23(21-24)22-31/h4-9,11-16,21,31H,10,17-20,22H2,1-3H3
InChIKeyAGBLLMJWKLOCBE-UHFFFAOYSA-N
MW479.14 g/mol
LogP6.22
Rot. Bonds9

About [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol

[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol (PubChem CID 140793016) has the molecular formula C29H35ClO2Si and a molecular weight of 479.14 g/mol. Its IUPAC name is [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol.

Molecular Properties

Compound Name[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol
PubChem CID140793016
Molecular FormulaC29H35ClO2Si
Molecular Weight479.14 g/mol
Exact Mass478.21
IUPAC Name[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol
SMILESCC(C)(C)[Si](OCCCC1(c2ccc(Cl)c(CO)c2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35ClO2Si/c1-28(2,3)33(25-11-6-4-7-12-25,26-13-8-5-9-14-26)32-20-10-17-29(18-19-29)24-15-16-27(30)23(21-24)22-31/h4-9,11-16,21,31H,10,17-20,22H2,1-3H3
InChIKeyAGBLLMJWKLOCBE-UHFFFAOYSA-N
XLogP6.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.14
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 58446364
(3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-ol
CID 58242645
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol?
The IUPAC name of [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol (CID 140793016) is [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol.
What is the SMILES notation for [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol?
The canonical SMILES for [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol is CC(C)(C)[Si](OCCCC1(c2ccc(Cl)c(CO)c2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol?
The InChIKey is AGBLLMJWKLOCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClO2Si/c1-28(2,3)33(25-11-6-4-7-12-25,26-13-8-5-9-14-26)32-20-10-17-29(18-19-29)24-15-16-27(30)23(21-24)22-31/h4-9,11-16,21,31H,10,17-20,22H2,1-3H3.
What are the key properties of [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol?
[5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol has a molecular weight of 479.14 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclopropyl]-2-chlorophenyl]methanol is sourced from PubChem (CID 140793016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).