trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane

C18H26OSi — CID 160995178

IUPACtrimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane
SMILESC=C1CCC2=C1C1([Si](C)(C)C)C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C18H26OSi/c1-13-7-8-14-12-15-6-5-9-17(15)10-11-18(19-17,16(13)14)20(2,3)4/h10-11,15H,1,5-9,12H2,2-4H3/t15-,17-,18?/m0/s1
InChIKeyHAPXPOJFSZCXAK-LUIZSJORSA-N
MW286.49 g/mol
LogP4.78
Rot. Bonds1

About trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane

trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane (PubChem CID 160995178) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane
PubChem CID160995178
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Nametrimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane
SMILESC=C1CCC2=C1C1([Si](C)(C)C)C=C[C@]3(CCC[C@H]3C2)O1
InChIInChI=1S/C18H26OSi/c1-13-7-8-14-12-15-6-5-9-17(15)10-11-18(19-17,16(13)14)20(2,3)4/h10-11,15H,1,5-9,12H2,2-4H3/t15-,17-,18?/m0/s1
InChIKeyHAPXPOJFSZCXAK-LUIZSJORSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.78
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 trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane?
The IUPAC name of trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane (CID 160995178) is trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane.
What is the SMILES notation for trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane?
The canonical SMILES for trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane is C=C1CCC2=C1C1([Si](C)(C)C)C=C[C@]3(CCC[C@H]3C2)O1.
What is the InChIKey of trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane?
The InChIKey is HAPXPOJFSZCXAK-LUIZSJORSA-N. The full InChI is InChI=1S/C18H26OSi/c1-13-7-8-14-12-15-6-5-9-17(15)10-11-18(19-17,16(13)14)20(2,3)4/h10-11,15H,1,5-9,12H2,2-4H3/t15-,17-,18?/m0/s1.
What are the key properties of trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane?
trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane has a molecular weight of 286.49 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane is sourced from PubChem (CID 160995178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).