(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane

C18H31FSi — CID 10589926

IUPAC(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H31FSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-16H,7-11H2,1-6H3
InChIKeyIMHOHICZTPPGQK-UHFFFAOYSA-N
MW294.53 g/mol
LogP6.40
Rot. Bonds3

About (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane

(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane (PubChem CID 10589926) has the molecular formula C18H31FSi and a molecular weight of 294.53 g/mol. Its IUPAC name is (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
PubChem CID10589926
Molecular FormulaC18H31FSi
Molecular Weight294.53 g/mol
Exact Mass294.22
IUPAC Name(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(F)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H31FSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-16H,7-11H2,1-6H3
InChIKeyIMHOHICZTPPGQK-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363827
2-Cyclohexylidenepropyl(trimethyl)silane
CID 14433570
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
Tert-butyl-(3-cyclohexylidenepenta-1,4-diynyl)-dimethylsilane
CID 11708690
[3-Cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 101194215

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The IUPAC name of (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane (CID 10589926) is (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane is CC(C)[Si](C#CC(F)=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
The InChIKey is IMHOHICZTPPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FSi/c1-14(2)20(15(3)4,16(5)6)13-12-18(19)17-10-8-7-9-11-17/h14-16H,7-11H2,1-6H3.
What are the key properties of (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane?
(3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane has a molecular weight of 294.53 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 10589926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).