methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane

C27H34OSi — CID 13101986

IUPACmethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane
SMILESCC1CCC(C(C)C)C(O[Si](C)(c2ccccc2)c2cccc3ccccc23)C1
InChIInChI=1S/C27H34OSi/c1-20(2)24-18-17-21(3)19-26(24)28-29(4,23-13-6-5-7-14-23)27-16-10-12-22-11-8-9-15-25(22)27/h5-16,20-21,24,26H,17-19H2,1-4H3
InChIKeyCGJJTDPRCZQGHJ-UHFFFAOYSA-N
MW402.65 g/mol
LogP6.01
Rot. Bonds5

About methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane

methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane (PubChem CID 13101986) has the molecular formula C27H34OSi and a molecular weight of 402.65 g/mol. Its IUPAC name is methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane.

Molecular Properties

Compound Namemethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane
PubChem CID13101986
Molecular FormulaC27H34OSi
Molecular Weight402.65 g/mol
Exact Mass402.24
IUPAC Namemethyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane
SMILESCC1CCC(C(C)C)C(O[Si](C)(c2ccccc2)c2cccc3ccccc23)C1
InChIInChI=1S/C27H34OSi/c1-20(2)24-18-17-21(3)19-26(24)28-29(4,23-13-6-5-7-14-23)27-16-10-12-22-11-8-9-15-25(22)27/h5-16,20-21,24,26H,17-19H2,1-4H3
InChIKeyCGJJTDPRCZQGHJ-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane?
The IUPAC name of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane (CID 13101986) is methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane.
What is the SMILES notation for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane?
The canonical SMILES for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane is CC1CCC(C(C)C)C(O[Si](C)(c2ccccc2)c2cccc3ccccc23)C1.
What is the InChIKey of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane?
The InChIKey is CGJJTDPRCZQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34OSi/c1-20(2)24-18-17-21(3)19-26(24)28-29(4,23-13-6-5-7-14-23)27-16-10-12-22-11-8-9-15-25(22)27/h5-16,20-21,24,26H,17-19H2,1-4H3.
What are the key properties of methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane?
methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane has a molecular weight of 402.65 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-naphthalen-1-yl-phenylsilane is sourced from PubChem (CID 13101986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).