5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole

C20H32Si — CID 139241203

IUPAC5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole
SMILESCCCCC#C[Si]1(C#CCCCC)CCC=C1CCCC
InChIInChI=1S/C20H32Si/c1-4-7-10-12-17-21(18-13-11-8-5-2)19-14-16-20(21)15-9-6-3/h16H,4-11,14-15,19H2,1-3H3
InChIKeySLGYTTYRDQZBID-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.96
Rot. Bonds7

About 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole

5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole (PubChem CID 139241203) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole.

Molecular Properties

Compound Name5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole
PubChem CID139241203
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Name5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole
SMILESCCCCC#C[Si]1(C#CCCCC)CCC=C1CCCC
InChIInChI=1S/C20H32Si/c1-4-7-10-12-17-21(18-13-11-8-5-2)19-14-16-20(21)15-9-6-3/h16H,4-11,14-15,19H2,1-3H3
InChIKeySLGYTTYRDQZBID-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.96
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

Silane, cyclopentenyltrimethyl-
CID 580560
1-[2-(Trimethylsilyl)ethynyl]cyclopentene
CID 12778987
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
trimethyl-[(E)-oct-3-en-1-ynyl]silane
CID 13679641
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Trimethyl-(7-methyl-3-methylideneoct-6-en-1-ynyl)silane
CID 10878326
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
CID 11216306
tri(propan-2-yl)-[(Z)-undec-3-en-1,8,10-triynyl]silane
CID 11301000
trimethyl-[(Z)-undec-6-en-1,4-diynyl]silane
CID 11378985
trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
CID 11431062
trimethyl-[(Z)-11-tri(propan-2-yl)silylundec-8-en-1,3,10-triynyl]silane
CID 11474191

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole?
The IUPAC name of 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole (CID 139241203) is 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole.
What is the SMILES notation for 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole?
The canonical SMILES for 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole is CCCCC#C[Si]1(C#CCCCC)CCC=C1CCCC.
What is the InChIKey of 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole?
The InChIKey is SLGYTTYRDQZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-4-7-10-12-17-21(18-13-11-8-5-2)19-14-16-20(21)15-9-6-3/h16H,4-11,14-15,19H2,1-3H3.
What are the key properties of 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole?
5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole has a molecular weight of 300.56 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole is sourced from PubChem (CID 139241203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).