(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane

C42H65FOSi2 — CID 173235758

IUPAC(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane
SMILESCCCCCC[Si](CCCCCCCC[Si](C(C)C)(C(C)C)C(C)C)(Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)C(C)C
InChIInChI=1S/C42H65FOSi2/c1-10-11-12-17-24-45(31(2)3,25-18-15-13-14-16-19-26-46(32(4)5,33(6)7)34(8)9)44-40-29-37-22-20-35-27-39(43)28-36-21-23-38(30-40)42(37)41(35)36/h20-23,27-34H,10-19,24-26H2,1-9H3
InChIKeyUCFGNBGEWSSIOE-UHFFFAOYSA-N
MW661.15 g/mol
LogP15.06
Rot. Bonds20

About (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane

(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane (PubChem CID 173235758) has the molecular formula C42H65FOSi2 and a molecular weight of 661.15 g/mol. Its IUPAC name is (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane.

Molecular Properties

Compound Name(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane
PubChem CID173235758
Molecular FormulaC42H65FOSi2
Molecular Weight661.15 g/mol
Exact Mass660.46
IUPAC Name(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane
SMILESCCCCCC[Si](CCCCCCCC[Si](C(C)C)(C(C)C)C(C)C)(Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)C(C)C
InChIInChI=1S/C42H65FOSi2/c1-10-11-12-17-24-45(31(2)3,25-18-15-13-14-16-19-26-46(32(4)5,33(6)7)34(8)9)44-40-29-37-22-20-35-27-39(43)28-36-21-23-38(30-40)42(37)41(35)36/h20-23,27-34H,10-19,24-26H2,1-9H3
InChIKeyUCFGNBGEWSSIOE-UHFFFAOYSA-N
XLogP15.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.15
LogP ≤ 515.06
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane?
The IUPAC name of (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane (CID 173235758) is (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane.
What is the SMILES notation for (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane?
The canonical SMILES for (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane is CCCCCC[Si](CCCCCCCC[Si](C(C)C)(C(C)C)C(C)C)(Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)C(C)C.
What is the InChIKey of (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane?
The InChIKey is UCFGNBGEWSSIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H65FOSi2/c1-10-11-12-17-24-45(31(2)3,25-18-15-13-14-16-19-26-46(32(4)5,33(6)7)34(8)9)44-40-29-37-22-20-35-27-39(43)28-36-21-23-38(30-40)42(37)41(35)36/h20-23,27-34H,10-19,24-26H2,1-9H3.
What are the key properties of (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane?
(7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane has a molecular weight of 661.15 g/mol, XLogP of 15.06, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoropyren-2-yl)oxy-hexyl-propan-2-yl-[8-tri(propan-2-yl)silyloctyl]silane is sourced from PubChem (CID 173235758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).