(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane

C12H22O2Si — CID 134906247

IUPAC(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
SMILESCOC1C=CCC(O[Si](C)(C)C(C)C)=C1
InChIInChI=1S/C12H22O2Si/c1-10(2)15(4,5)14-12-8-6-7-11(9-12)13-3/h6-7,9-11H,8H2,1-5H3
InChIKeyDDWXHPKGMZSSEL-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.48
Rot. Bonds4

About (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane

(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane (PubChem CID 134906247) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Name(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
PubChem CID134906247
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
SMILESCOC1C=CCC(O[Si](C)(C)C(C)C)=C1
InChIInChI=1S/C12H22O2Si/c1-10(2)15(4,5)14-12-8-6-7-11(9-12)13-3/h6-7,9-11H,8H2,1-5H3
InChIKeyDDWXHPKGMZSSEL-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, [(3,6-dihydro-2H-pyran-4-yl)oxy]trimethyl-
CID 11095099
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
(2r,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826301
(2s,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826316
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
[(E)-4-methoxy-6-trimethylsilylhex-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890060
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
(6-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134975764
Tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134975843
[(E)-4-methoxynon-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 135046086
tert-butyl-(3,6-dihydro-2H-pyran-6-ylmethoxy)-dimethylsilane
CID 135082260
triethyl-[[(1R,5R)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
CID 10657595

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane?
The IUPAC name of (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane (CID 134906247) is (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane.
What is the SMILES notation for (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane?
The canonical SMILES for (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane is COC1C=CCC(O[Si](C)(C)C(C)C)=C1.
What is the InChIKey of (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane?
The InChIKey is DDWXHPKGMZSSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(2)15(4,5)14-12-8-6-7-11(9-12)13-3/h6-7,9-11H,8H2,1-5H3.
What are the key properties of (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane?
(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane has a molecular weight of 226.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 134906247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).