2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline

C14H22O2Si — CID 154176265

IUPAC2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline
SMILESCOC1=CC=CC(C)(C)C1C[SiH]1CCC=CO1
InChIInChI=1S/C14H22O2Si/c1-14(2)8-6-7-13(15-3)12(14)11-17-10-5-4-9-16-17/h4,6-9,12,17H,5,10-11H2,1-3H3
InChIKeyVYFWAZROGILFKB-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline

2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline (PubChem CID 154176265) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline.

Molecular Properties

Compound Name2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline
PubChem CID154176265
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline
SMILESCOC1=CC=CC(C)(C)C1C[SiH]1CCC=CO1
InChIInChI=1S/C14H22O2Si/c1-14(2)8-6-7-13(15-3)12(14)11-17-10-5-4-9-16-17/h4,6-9,12,17H,5,10-11H2,1-3H3
InChIKeyVYFWAZROGILFKB-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 141392362
CID 141392362

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline?
The IUPAC name of 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline (CID 154176265) is 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline.
What is the SMILES notation for 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline?
The canonical SMILES for 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline is COC1=CC=CC(C)(C)C1C[SiH]1CCC=CO1.
What is the InChIKey of 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline?
The InChIKey is VYFWAZROGILFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2)8-6-7-13(15-3)12(14)11-17-10-5-4-9-16-17/h4,6-9,12,17H,5,10-11H2,1-3H3.
What are the key properties of 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline?
2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline has a molecular weight of 250.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-6,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-3,4-dihydro-2H-oxasiline is sourced from PubChem (CID 154176265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).