[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

C19H32Si2 — CID 10881642

IUPAC[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESCC1(C)CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C19H32Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H2,1-8H3
InChIKeyKGFZSBSKVCKILW-UHFFFAOYSA-N
MW316.64 g/mol
LogP5.64
Rot. Bonds

About [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 10881642) has the molecular formula C19H32Si2 and a molecular weight of 316.64 g/mol. Its IUPAC name is [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID10881642
Molecular FormulaC19H32Si2
Molecular Weight316.64 g/mol
Exact Mass316.20
IUPAC Name[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESCC1(C)CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C19H32Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H2,1-8H3
InChIKeyKGFZSBSKVCKILW-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.64
LogP ≤ 55.64
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

Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
(1,2-Ditert-butyl-6,7-dimethyl-4-trimethylsilyl-4-silaspiro[2.5]octa-1,6-dien-4-yl)-trimethylsilane
CID 15785487
[2-(4-Tert-butylcyclohexylidene)-3-trimethylsilylpropyl]-trimethylsilane
CID 102154705
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
8-(4-Tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
CID 11475033
Trimethyl-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]silane
CID 68606595
Trimethyl-[2-[1,3,5-trimethyl-5-(2-trimethylsilylethynyl)cyclohex-2-en-1-yl]ethynyl]silane
CID 69456934
trimethyl-[2-[(9E)-13-methylidene-9-(2-trimethylsilylethynyl)spiro[5.8]tetradeca-9,11-dien-12-yl]ethynyl]silane
CID 173539380
3,4-Dicyclohexy-1,6-bis(tert-butyldimethylsilyl)-3-hexen-1,5-diyne
CID 2758232
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
CID 4712672
trimethyl-[3-[(2Z)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
CID 10571233
trimethyl-[3-[(2E)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
CID 101086265

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 10881642) is [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is CC1(C)CCC(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)CC1.
What is the InChIKey of [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is KGFZSBSKVCKILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32Si2/c1-19(2)13-9-17(10-14-19)18(11-15-20(3,4)5)12-16-21(6,7)8/h9-10,13-14H2,1-8H3.
What are the key properties of [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 316.64 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 10881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).