CID 22913629

C19H37BrSi2 — CID 22913629

IUPAC—
SMILESCCCCC[Si]1CCC(CCCC[Si]2CCC(Br)CC2)CC1
InChIInChI=1S/C19H37BrSi2/c1-2-3-5-12-21-14-8-18(9-15-21)7-4-6-13-22-16-10-19(20)11-17-22/h18-19H,2-17H2,1H3
InChIKeyYIEZTSWQGZBYNR-UHFFFAOYSA-N
MW401.58 g/mol
LogP7.30
Rot. Bonds9

About CID 22913629

CID 22913629 (PubChem CID 22913629) has the molecular formula C19H37BrSi2 and a molecular weight of 401.58 g/mol.

Molecular Properties

Compound NameCID 22913629
PubChem CID22913629
Molecular FormulaC19H37BrSi2
Molecular Weight401.58 g/mol
Exact Mass400.16
IUPAC Name—
SMILESCCCCC[Si]1CCC(CCCC[Si]2CCC(Br)CC2)CC1
InChIInChI=1S/C19H37BrSi2/c1-2-3-5-12-21-14-8-18(9-15-21)7-4-6-13-22-16-10-19(20)11-17-22/h18-19H,2-17H2,1H3
InChIKeyYIEZTSWQGZBYNR-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 22913647
CID 22913647
1-bromo-4-hexylcyclohexane
CID 157160375
CID 22913907
CID 22913907
hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
CID 22913817
CID 22913817
azane;hexylcyclopropane
CID 135322230
1-bromo-3-heptylcyclopentane
CID 64509382
CID 23364743
CID 23364743

Frequently Asked Questions

What is the IUPAC name of CID 22913629?
The IUPAC name of CID 22913629 (CID 22913629) is not available.
What is the SMILES notation for CID 22913629?
The canonical SMILES for CID 22913629 is CCCCC[Si]1CCC(CCCC[Si]2CCC(Br)CC2)CC1.
What is the InChIKey of CID 22913629?
The InChIKey is YIEZTSWQGZBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BrSi2/c1-2-3-5-12-21-14-8-18(9-15-21)7-4-6-13-22-16-10-19(20)11-17-22/h18-19H,2-17H2,1H3.
What are the key properties of CID 22913629?
CID 22913629 has a molecular weight of 401.58 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913629 is sourced from PubChem (CID 22913629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).