3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

C16H24OSi — CID 138966025

IUPAC3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCC(C)[Si]1(C(C)C)Oc2cccc3c2C1CCC3
InChIInChI=1S/C16H24OSi/c1-11(2)18(12(3)4)15-10-6-8-13-7-5-9-14(17-18)16(13)15/h5,7,9,11-12,15H,6,8,10H2,1-4H3
InChIKeyLIIJACYKLXCHFZ-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.80
Rot. Bonds2

About 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (PubChem CID 138966025) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
PubChem CID138966025
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCC(C)[Si]1(C(C)C)Oc2cccc3c2C1CCC3
InChIInChI=1S/C16H24OSi/c1-11(2)18(12(3)4)15-10-6-8-13-7-5-9-14(17-18)16(13)15/h5,7,9,11-12,15H,6,8,10H2,1-4H3
InChIKeyLIIJACYKLXCHFZ-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.80
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-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105456735
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105476138
8-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445428
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
2,3,4,5-tetrahydro-1-benzoxepin-2-ol
CID 118271774
8-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709110
(3S,5R)-3-ethoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 45094518
(3R,5S)-3-ethoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 131849067
8-N,8-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 112708810
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
CID 153397190
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The IUPAC name of 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (CID 138966025) is 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.
What is the SMILES notation for 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The canonical SMILES for 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is CC(C)[Si]1(C(C)C)Oc2cccc3c2C1CCC3.
What is the InChIKey of 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The InChIKey is LIIJACYKLXCHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-11(2)18(12(3)4)15-10-6-8-13-7-5-9-14(17-18)16(13)15/h5,7,9,11-12,15H,6,8,10H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene has a molecular weight of 260.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2-oxa-3-silatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is sourced from PubChem (CID 138966025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).