3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane

C22H42Si — CID 102590109

IUPAC3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1CCCCC1
InChIInChI=1S/C22H42Si/c1-8-9-13-22(21-14-11-10-12-15-21)16-17-23(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3
InChIKeyCWZBZURVNSFFKY-UHFFFAOYSA-N
MW334.66 g/mol
LogP7.59
Rot. Bonds7

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

3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane (PubChem CID 102590109) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane
PubChem CID102590109
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane
SMILESCCCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1CCCCC1
InChIInChI=1S/C22H42Si/c1-8-9-13-22(21-14-11-10-12-15-21)16-17-23(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3
InChIKeyCWZBZURVNSFFKY-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 57.59
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'}

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Related Compounds

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(1R)-1-cyclopentylpentan-1-amine
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N-[(1S)-1-cyclohexylethyl]heptan-3-amine
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2-methyloctan-3-ylcycloheptane
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butan-2-ylcyclohexane;heptane
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1-cyclohexylheptylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane (CID 102590109) is 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane is CCCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is CWZBZURVNSFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si/c1-8-9-13-22(21-14-11-10-12-15-21)16-17-23(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3.
What are the key properties of 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane?
3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 334.66 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylhept-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102590109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).