(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

C16H30O2Si — CID 173124814

IUPAC(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCOC1=CCCC=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-8-10-15(16)17-7/h10-14H,8-9H2,1-7H3
InChIKeyYHOWIONXGCZEPK-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.39
Rot. Bonds6

About (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173124814) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID173124814
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCOC1=CCCC=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-8-10-15(16)17-7/h10-14H,8-9H2,1-7H3
InChIKeyYHOWIONXGCZEPK-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (CID 173124814) is (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is COC1=CCCC=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is YHOWIONXGCZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-8-10-15(16)17-7/h10-14H,8-9H2,1-7H3.
What are the key properties of (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
(6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 282.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173124814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).