3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane

C15H28OSi — CID 156778947

IUPAC3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCC1(C)C=CC=CC1C
InChIInChI=1S/C15H28OSi/c1-6-16-17(4,5)13-9-12-15(3)11-8-7-10-14(15)2/h7-8,10-11,14H,6,9,12-13H2,1-5H3
InChIKeyLFULUOLYZDUJKJ-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.78
Rot. Bonds6

About 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane

3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane (PubChem CID 156778947) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane.

Molecular Properties

Compound Name3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane
PubChem CID156778947
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCC1(C)C=CC=CC1C
InChIInChI=1S/C15H28OSi/c1-6-16-17(4,5)13-9-12-15(3)11-8-7-10-14(15)2/h7-8,10-11,14H,6,9,12-13H2,1-5H3
InChIKeyLFULUOLYZDUJKJ-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-Cyclohexenyl)ethyl]triethoxysilane
CID 11300254
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
[(4aS,8aS)-4,8a-dihydro-3H-naphthalen-4a-yl]methoxy-tert-butyl-dimethylsilane
CID 10891131
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
t-Butyldimethyl{[(1r,2r,6r)-2-methyl-6-vinylcyclohex-3-en-1-yl]methoxy}silane
CID 129758377
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
[(1E,3E)-4-cyclohexylbuta-1,3-dienoxy]-triethylsilane
CID 20315292
1-Cyclohex-3-en-1-ylethyl(triethoxy)silane
CID 21666320
1-Cyclohex-2-en-1-ylethyl-diethoxy-methylsilane
CID 23439143
4-Cyclohexylbuta-1,3-dienoxy(triethyl)silane
CID 53972958
2-Cyclohex-3-en-1-ylethyl-methoxy-dimethylsilane
CID 54318787

Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane?
The IUPAC name of 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane (CID 156778947) is 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane.
What is the SMILES notation for 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane?
The canonical SMILES for 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane is CCO[Si](C)(C)CCCC1(C)C=CC=CC1C.
What is the InChIKey of 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane?
The InChIKey is LFULUOLYZDUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-6-16-17(4,5)13-9-12-15(3)11-8-7-10-14(15)2/h7-8,10-11,14H,6,9,12-13H2,1-5H3.
What are the key properties of 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane?
3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dimethylcyclohexa-2,4-dien-1-yl)propyl-ethoxy-dimethylsilane is sourced from PubChem (CID 156778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).