butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane

C19H36OSi — CID 57165414

IUPACbutyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane
SMILESCC=C1CCCC2C(O[Si](C)(C)CCCC)CCCC12C
InChIInChI=1S/C19H36OSi/c1-6-8-15-21(4,5)20-18-13-10-14-19(3)16(7-2)11-9-12-17(18)19/h7,17-18H,6,8-15H2,1-5H3
InChIKeyHINHFZAFUGGQQA-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.31
Rot. Bonds5

About butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane

butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane (PubChem CID 57165414) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane
PubChem CID57165414
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Namebutyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane
SMILESCC=C1CCCC2C(O[Si](C)(C)CCCC)CCCC12C
InChIInChI=1S/C19H36OSi/c1-6-8-15-21(4,5)20-18-13-10-14-19(3)16(7-2)11-9-12-17(18)19/h7,17-18H,6,8-15H2,1-5H3
InChIKeyHINHFZAFUGGQQA-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane?
The IUPAC name of butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane (CID 57165414) is butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane?
The canonical SMILES for butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane is CC=C1CCCC2C(O[Si](C)(C)CCCC)CCCC12C.
What is the InChIKey of butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane?
The InChIKey is HINHFZAFUGGQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-6-8-15-21(4,5)20-18-13-10-14-19(3)16(7-2)11-9-12-17(18)19/h7,17-18H,6,8-15H2,1-5H3.
What are the key properties of butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane?
butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 57165414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).