(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane

C19H38OSi — CID 12750414

IUPAC(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-17(11-13-18)19(7,8)9/h12,14-17H,10-11,13H2,1-9H3
InChIKeyUPXUYZUSLYFXRC-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.91
Rot. Bonds5

About (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane

(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 12750414) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID12750414
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-17(11-13-18)19(7,8)9/h12,14-17H,10-11,13H2,1-9H3
InChIKeyUPXUYZUSLYFXRC-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.91
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 (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane (CID 12750414) is (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCC(C(C)(C)C)CC1)(C(C)C)C(C)C.
What is the InChIKey of (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is UPXUYZUSLYFXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-14(2)21(15(3)4,16(5)6)20-18-12-10-17(11-13-18)19(7,8)9/h12,14-17H,10-11,13H2,1-9H3.
What are the key properties of (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane?
(4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 310.60 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexen-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 12750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).