4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid

C22H34O2Si — CID 23354830

IUPAC4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
SMILESCCCC[Si]1(c2ccccc2)CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C22H34O2Si/c1-2-3-15-25(21-7-5-4-6-8-21)16-13-19(14-17-25)18-9-11-20(12-10-18)22(23)24/h4-8,18-20H,2-3,9-17H2,1H3,(H,23,24)
InChIKeyFLXHCGKRGPVBJA-UHFFFAOYSA-N
MW358.60 g/mol
LogP5.44
Rot. Bonds6

About 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid

4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 23354830) has the molecular formula C22H34O2Si and a molecular weight of 358.60 g/mol. Its IUPAC name is 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
PubChem CID23354830
Molecular FormulaC22H34O2Si
Molecular Weight358.60 g/mol
Exact Mass358.23
IUPAC Name4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
SMILESCCCC[Si]1(c2ccccc2)CCC(C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C22H34O2Si/c1-2-3-15-25(21-7-5-4-6-8-21)16-13-19(14-17-25)18-9-11-20(12-10-18)22(23)24/h4-8,18-20H,2-3,9-17H2,1H3,(H,23,24)
InChIKeyFLXHCGKRGPVBJA-UHFFFAOYSA-N
XLogP5.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
CID 139792196
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
CID 22913891
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
CID 22412520
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
4-[4-butyl-4-(4-propylphenyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 18659085
(4-chlorophenyl) 4-(1-methyl-1-pentylsilinan-4-yl)cyclohexane-1-carboxylate
CID 139687401
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
3,4-dibutyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-dicarboxylic acid
CID 68561223
cyclopropanecarboxylic acid;decan-1-amine
CID 157428816
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653

Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid (CID 23354830) is 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid is CCCC[Si]1(c2ccccc2)CCC(C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is FLXHCGKRGPVBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2Si/c1-2-3-15-25(21-7-5-4-6-8-21)16-13-19(14-17-25)18-9-11-20(12-10-18)22(23)24/h4-8,18-20H,2-3,9-17H2,1H3,(H,23,24).
What are the key properties of 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid?
4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 358.60 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23354830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).