4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one

C17H32OSi — CID 18935827

IUPAC4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one
SMILESCCCCC[Si]1(C)CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C17H32OSi/c1-3-4-5-12-19(2)13-10-16(11-14-19)15-6-8-17(18)9-7-15/h15-16H,3-14H2,1-2H3
InChIKeySUJGPLVCQQWTLN-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.42
Rot. Bonds5

About 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one

4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one (PubChem CID 18935827) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one
PubChem CID18935827
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one
SMILESCCCCC[Si]1(C)CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C17H32OSi/c1-3-4-5-12-19(2)13-10-16(11-14-19)15-6-8-17(18)9-7-15/h15-16H,3-14H2,1-2H3
InChIKeySUJGPLVCQQWTLN-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one?
The IUPAC name of 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one (CID 18935827) is 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one is CCCCC[Si]1(C)CCC(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one?
The InChIKey is SUJGPLVCQQWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-3-4-5-12-19(2)13-10-16(11-14-19)15-6-8-17(18)9-7-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one?
4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one has a molecular weight of 280.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexan-1-one is sourced from PubChem (CID 18935827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).