[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

C18H31F3OSi — CID 67642174

IUPAC[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C18H31F3OSi/c1-11(2)23(12(3)4,13(5)6)22-17-9-14(7)16(15(17)8)10-18(19,20)21/h11-13,17H,7,9-10H2,1-6,8H3/t17-/m0/s1
InChIKeyDVDMUBJJHRVQGS-KRWDZBQOSA-N
MW348.53 g/mol
LogP6.78
Rot. Bonds6

About [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 67642174) has the molecular formula C18H31F3OSi and a molecular weight of 348.53 g/mol. Its IUPAC name is [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID67642174
Molecular FormulaC18H31F3OSi
Molecular Weight348.53 g/mol
Exact Mass348.21
IUPAC Name[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C18H31F3OSi/c1-11(2)23(12(3)4,13(5)6)22-17-9-14(7)16(15(17)8)10-18(19,20)21/h11-13,17H,7,9-10H2,1-6,8H3/t17-/m0/s1
InChIKeyDVDMUBJJHRVQGS-KRWDZBQOSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.78
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 [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (CID 67642174) is [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is C=C1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=C1CC(F)(F)F.
What is the InChIKey of [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is DVDMUBJJHRVQGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H31F3OSi/c1-11(2)23(12(3)4,13(5)6)22-17-9-14(7)16(15(17)8)10-18(19,20)21/h11-13,17H,7,9-10H2,1-6,8H3/t17-/m0/s1.
What are the key properties of [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
[(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 348.53 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 67642174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).