[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane

C18H29F7OSi — CID 14914242

IUPAC[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H29F7OSi/c1-11(2)27(12(3)4,13(5)6)26-15-10-8-7-9-14(15)16(19,17(20,21)22)18(23,24)25/h11-13H,7-10H2,1-6H3
InChIKeyYOHNVEZBNHHOCB-UHFFFAOYSA-N
MW422.50 g/mol
LogP7.84
Rot. Bonds6

About [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane

[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 14914242) has the molecular formula C18H29F7OSi and a molecular weight of 422.50 g/mol. Its IUPAC name is [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID14914242
Molecular FormulaC18H29F7OSi
Molecular Weight422.50 g/mol
Exact Mass422.19
IUPAC Name[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H29F7OSi/c1-11(2)27(12(3)4,13(5)6)26-15-10-8-7-9-14(15)16(19,17(20,21)22)18(23,24)25/h11-13H,7-10H2,1-6H3
InChIKeyYOHNVEZBNHHOCB-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane (CID 14914242) is [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=C(C(F)(C(F)(F)F)C(F)(F)F)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is YOHNVEZBNHHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F7OSi/c1-11(2)27(12(3)4,13(5)6)26-15-10-8-7-9-14(15)16(19,17(20,21)22)18(23,24)25/h11-13H,7-10H2,1-6H3.
What are the key properties of [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 422.50 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 14914242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).