[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane

C19H33F3OSi — CID 147072606

IUPAC[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane
SMILESC/C=C/CCC1CCC(C[SiH2]C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H33F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14,24H2,1H3/b3-2+
InChIKeyBFINBFDQVHMLQC-NSCUHMNNSA-N
MW362.55 g/mol
LogP6.00
Rot. Bonds7

About [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane

[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane (PubChem CID 147072606) has the molecular formula C19H33F3OSi and a molecular weight of 362.55 g/mol. Its IUPAC name is [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane.

Molecular Properties

Compound Name[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane
PubChem CID147072606
Molecular FormulaC19H33F3OSi
Molecular Weight362.55 g/mol
Exact Mass362.23
IUPAC Name[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane
SMILESC/C=C/CCC1CCC(C[SiH2]C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H33F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14,24H2,1H3/b3-2+
InChIKeyBFINBFDQVHMLQC-NSCUHMNNSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane?
The IUPAC name of [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane (CID 147072606) is [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane.
What is the SMILES notation for [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane?
The canonical SMILES for [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane is C/C=C/CCC1CCC(C[SiH2]C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane?
The InChIKey is BFINBFDQVHMLQC-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H33F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14,24H2,1H3/b3-2+.
What are the key properties of [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane?
[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane has a molecular weight of 362.55 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane is sourced from PubChem (CID 147072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).