8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane

C27H46Si — CID 11475033

IUPAC8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCCCC#CC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C27H46Si/c1-22(2)28(23(3)4,24(5)6)21-15-13-11-10-12-14-16-25-17-19-26(20-18-25)27(7,8)9/h17,22-24,26H,10-13,18-20H2,1-9H3
InChIKeyGNPBMMDBUCYMFC-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.54
Rot. Bonds6

About 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane

8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane (PubChem CID 11475033) has the molecular formula C27H46Si and a molecular weight of 398.75 g/mol. Its IUPAC name is 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
PubChem CID11475033
Molecular FormulaC27H46Si
Molecular Weight398.75 g/mol
Exact Mass398.34
IUPAC Name8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCCCC#CC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C27H46Si/c1-22(2)28(23(3)4,24(5)6)21-15-13-11-10-12-14-16-25-17-19-26(20-18-25)27(7,8)9/h17,22-24,26H,10-13,18-20H2,1-9H3
InChIKeyGNPBMMDBUCYMFC-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.54
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

2-(4-Tert-butylcyclohexen-1-yl)ethynyl-trimethylsilane
CID 10823617
4-Tert-butyl-1-hex-1-ynylcyclohexene
CID 11367976
2-(4-Tert-butylcyclohexylidene)ethyl-trimethylsilane
CID 10922619
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
[1-(4-Tert-butylcyclohexen-1-yl)cyclopropyl]-trimethylsilane
CID 13280452
1-Tert-butyl-4-undec-2-ynylidenecyclohexane
CID 102143589
trimethyl-[[(4R)-4-propan-2-ylcyclohexen-1-yl]methyl-bis(trimethylsilyl)silyl]silane
CID 135003622
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
(3R)-1-(4-tert-butylcyclohexen-1-yl)-3-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135064806
tert-butyl-[(3R,4R)-3-(2-iodoethyl)-4,8-dimethylnon-7-en-1-ynyl]-dimethylsilane
CID 162411213
[3-(4,4-Dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10881642

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane?
The IUPAC name of 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane (CID 11475033) is 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane?
The canonical SMILES for 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCCCC#CC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C.
What is the InChIKey of 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane?
The InChIKey is GNPBMMDBUCYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46Si/c1-22(2)28(23(3)4,24(5)6)21-15-13-11-10-12-14-16-25-17-19-26(20-18-25)27(7,8)9/h17,22-24,26H,10-13,18-20H2,1-9H3.
What are the key properties of 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane?
8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane has a molecular weight of 398.75 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11475033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).