CID 69064198

C16H27O2Si — CID 69064198

IUPAC—
SMILESCC(O)Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C16H27O2Si/c1-12(17)10-13-8-7-9-14(11-13)15(16(2,3)4)18-19(5)6/h7-9,11-12,15,17H,10H2,1-6H3
InChIKeyYWXPCJSOAXSEMH-UHFFFAOYSA-N
MW279.48 g/mol
LogP3.96
Rot. Bonds5

About CID 69064198

CID 69064198 (PubChem CID 69064198) has the molecular formula C16H27O2Si and a molecular weight of 279.48 g/mol.

Molecular Properties

Compound NameCID 69064198
PubChem CID69064198
Molecular FormulaC16H27O2Si
Molecular Weight279.48 g/mol
Exact Mass279.18
IUPAC Name—
SMILESCC(O)Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C16H27O2Si/c1-12(17)10-13-8-7-9-14(11-13)15(16(2,3)4)18-19(5)6/h7-9,11-12,15,17H,10H2,1-6H3
InChIKeyYWXPCJSOAXSEMH-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66813620
CID 66813620
CID 67842343
CID 67842343
1-(3-propan-2-ylphenyl)propan-2-ol
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CID 116713134
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CID 117286468
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 69064198?
The IUPAC name of CID 69064198 (CID 69064198) is not available.
What is the SMILES notation for CID 69064198?
The canonical SMILES for CID 69064198 is CC(O)Cc1cccc(C(O[Si](C)C)C(C)(C)C)c1.
What is the InChIKey of CID 69064198?
The InChIKey is YWXPCJSOAXSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2Si/c1-12(17)10-13-8-7-9-14(11-13)15(16(2,3)4)18-19(5)6/h7-9,11-12,15,17H,10H2,1-6H3.
What are the key properties of CID 69064198?
CID 69064198 has a molecular weight of 279.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69064198 is sourced from PubChem (CID 69064198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).