2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline

C14H22OSi — CID 135061443

IUPAC2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline
SMILESC=C(C#CC1=CC[Si](C)(C)OC1)CCCC
InChIInChI=1S/C14H22OSi/c1-5-6-7-13(2)8-9-14-10-11-16(3,4)15-12-14/h10H,2,5-7,11-12H2,1,3-4H3
InChIKeyOBDDZJBQGFHQRW-UHFFFAOYSA-N
MW234.41 g/mol
LogP3.90
Rot. Bonds3

About 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline

2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline (PubChem CID 135061443) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline
PubChem CID135061443
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline
SMILESC=C(C#CC1=CC[Si](C)(C)OC1)CCCC
InChIInChI=1S/C14H22OSi/c1-5-6-7-13(2)8-9-14-10-11-16(3,4)15-12-14/h10H,2,5-7,11-12H2,1,3-4H3
InChIKeyOBDDZJBQGFHQRW-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline?
The IUPAC name of 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline (CID 135061443) is 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline.
What is the SMILES notation for 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline?
The canonical SMILES for 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline is C=C(C#CC1=CC[Si](C)(C)OC1)CCCC.
What is the InChIKey of 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline?
The InChIKey is OBDDZJBQGFHQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-5-6-7-13(2)8-9-14-10-11-16(3,4)15-12-14/h10H,2,5-7,11-12H2,1,3-4H3.
What are the key properties of 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline?
2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline has a molecular weight of 234.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methylidenehept-1-ynyl)-3,6-dihydrooxasiline is sourced from PubChem (CID 135061443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).