di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane

C22H36O2Si — CID 100958472

IUPACdi(cyclopenta-2,4-dien-1-yl)-dihexoxysilane
SMILESCCCCCCO[Si](OCCCCCC)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C22H36O2Si/c1-3-5-7-13-19-23-25(21-15-9-10-16-21,22-17-11-12-18-22)24-20-14-8-6-4-2/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3
InChIKeyXFQUGRSTEYFCBR-UHFFFAOYSA-N
MW360.61 g/mol
LogP6.61
Rot. Bonds14

About di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane

di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane (PubChem CID 100958472) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane.

Molecular Properties

Compound Namedi(cyclopenta-2,4-dien-1-yl)-dihexoxysilane
PubChem CID100958472
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Namedi(cyclopenta-2,4-dien-1-yl)-dihexoxysilane
SMILESCCCCCCO[Si](OCCCCCC)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C22H36O2Si/c1-3-5-7-13-19-23-25(21-15-9-10-16-21,22-17-11-12-18-22)24-20-14-8-6-4-2/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3
InChIKeyXFQUGRSTEYFCBR-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
5-nonoxycyclopenta-1,3-diene
CID 172821169
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
hexoxy-dimethyl-nonoxysilane
CID 91741085
tributyl octyl silicate
CID 141280761
hexoxy-dimethyl-undecoxysilane
CID 91742305
trihydroxy(tetradecoxy)silane
CID 87382904
didodecoxy(dihydroxy)silane
CID 175350678
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841

Frequently Asked Questions

What is the IUPAC name of di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane?
The IUPAC name of di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane (CID 100958472) is di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane.
What is the SMILES notation for di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane?
The canonical SMILES for di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane is CCCCCCO[Si](OCCCCCC)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane?
The InChIKey is XFQUGRSTEYFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-3-5-7-13-19-23-25(21-15-9-10-16-21,22-17-11-12-18-22)24-20-14-8-6-4-2/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3.
What are the key properties of di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane?
di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane has a molecular weight of 360.61 g/mol, XLogP of 6.61, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane is sourced from PubChem (CID 100958472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).