4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane

C23H37BrSi — CID 22913891

IUPAC4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
SMILESCCC[Si]1(c2ccccc2)CCC(C2CCC(CCCBr)CC2)CC1
InChIInChI=1S/C23H37BrSi/c1-2-17-25(23-8-4-3-5-9-23)18-14-22(15-19-25)21-12-10-20(11-13-21)7-6-16-24/h3-5,8-9,20-22H,2,6-7,10-19H2,1H3
InChIKeyQVUKMDRXQZCKLS-UHFFFAOYSA-N
MW421.54 g/mol
LogP7.14
Rot. Bonds7

About 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane

4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane (PubChem CID 22913891) has the molecular formula C23H37BrSi and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane.

Molecular Properties

Compound Name4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
PubChem CID22913891
Molecular FormulaC23H37BrSi
Molecular Weight421.54 g/mol
Exact Mass420.18
IUPAC Name4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
SMILESCCC[Si]1(c2ccccc2)CCC(C2CCC(CCCBr)CC2)CC1
InChIInChI=1S/C23H37BrSi/c1-2-17-25(23-8-4-3-5-9-23)18-14-22(15-19-25)21-12-10-20(11-13-21)7-6-16-24/h3-5,8-9,20-22H,2,6-7,10-19H2,1H3
InChIKeyQVUKMDRXQZCKLS-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
CID 23354830
1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
CID 139725525
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
CID 158118284
4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane?
The IUPAC name of 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane (CID 22913891) is 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane.
What is the SMILES notation for 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane?
The canonical SMILES for 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane is CCC[Si]1(c2ccccc2)CCC(C2CCC(CCCBr)CC2)CC1.
What is the InChIKey of 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane?
The InChIKey is QVUKMDRXQZCKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BrSi/c1-2-17-25(23-8-4-3-5-9-23)18-14-22(15-19-25)21-12-10-20(11-13-21)7-6-16-24/h3-5,8-9,20-22H,2,6-7,10-19H2,1H3.
What are the key properties of 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane?
4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane has a molecular weight of 421.54 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane is sourced from PubChem (CID 22913891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).