3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane

C21H38Si — CID 174858693

IUPAC3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
SMILESCCCCCCCC=C(C#C[Si](C)(C)C)CC1CCCCC1
InChIInChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h16,20H,5-15,19H2,1-4H3
InChIKeyHONNSXUKSGGDRO-UHFFFAOYSA-N
MW318.62 g/mol
LogP7.12
Rot. Bonds8

About 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane

3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane (PubChem CID 174858693) has the molecular formula C21H38Si and a molecular weight of 318.62 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
PubChem CID174858693
Molecular FormulaC21H38Si
Molecular Weight318.62 g/mol
Exact Mass318.27
IUPAC Name3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
SMILESCCCCCCCC=C(C#C[Si](C)(C)C)CC1CCCCC1
InChIInChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h16,20H,5-15,19H2,1-4H3
InChIKeyHONNSXUKSGGDRO-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.62
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
CID 11085963
Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
[(4R)-4,8-dimethylnon-7-en-1-ynyl]-trimethylsilane
CID 11390445
[(6E)-8-cyclohexylocta-1,6-dien-3-yl]-triethylsilane
CID 11460962
[(E)-1-cyclohexyl-3-tributylstannylprop-1-en-2-yl]-trimethylsilane
CID 11488613
[(Z)-4-cyclohexylbut-3-en-1-ynyl]-trimethylsilane
CID 12750868
[(E)-1-cyclohexyloct-1-en-3-yl]-trimethylsilane
CID 16732184
[(Z)-3-cyclohexyl-2-methylprop-2-enyl]-trimethylsilane
CID 21726122
[3-Cyclohexyl-2-(trimethylsilylmethyl)prop-2-enyl]-trimethylsilane
CID 86100675
[(5S)-5,9-dimethyldec-8-en-1-ynyl]-trimethylsilane
CID 134995059
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane
CID 162411213

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane?
The IUPAC name of 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane (CID 174858693) is 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane is CCCCCCCC=C(C#C[Si](C)(C)C)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane?
The InChIKey is HONNSXUKSGGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Si/c1-5-6-7-8-9-11-16-21(17-18-22(2,3)4)19-20-14-12-10-13-15-20/h16,20H,5-15,19H2,1-4H3.
What are the key properties of 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane?
3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane has a molecular weight of 318.62 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane is sourced from PubChem (CID 174858693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).