3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane

C19H36OSi — CID 134969130

IUPAC3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC2CCCCC12)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h13-18H,7-12H2,1-6H3
InChIKeyDEHDKBGBOZZETA-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.66
Rot. Bonds5

About 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane

3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (PubChem CID 134969130) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
PubChem CID134969130
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC2CCCCC12)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h13-18H,7-12H2,1-6H3
InChIKeyDEHDKBGBOZZETA-UHFFFAOYSA-N
XLogP6.66
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 ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (CID 134969130) is 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCCC2CCCCC12)(C(C)C)C(C)C.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is DEHDKBGBOZZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h13-18H,7-12H2,1-6H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134969130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).