(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane

C16H30OSi — CID 11807634

IUPAC(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC1=CCCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1
InChIInChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)17-16-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3
InChIKeyCJZBFGOXOWBXJT-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.80
Rot. Bonds5

About (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane

(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 11807634) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID11807634
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC1=CCCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1
InChIInChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)17-16-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3
InChIKeyCJZBFGOXOWBXJT-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane (CID 11807634) is (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane is CC1=CCCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1.
What is the InChIKey of (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is CJZBFGOXOWBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12(2)18(13(3)4,14(5)6)17-16-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3.
What are the key properties of (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane?
(3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 266.50 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexa-1,3-dien-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11807634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).