1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one

C18H34O2Si — CID 100961890

IUPAC1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one
SMILESCC(=O)CC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC1
InChIInChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)20-18-10-8-9-17(12-18)11-16(7)19/h12-15,17H,8-11H2,1-7H3
InChIKeyPDZIMYXDPFASAK-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.84
Rot. Bonds7

About 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one

1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one (PubChem CID 100961890) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one
PubChem CID100961890
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one
SMILESCC(=O)CC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC1
InChIInChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)20-18-10-8-9-17(12-18)11-16(7)19/h12-15,17H,8-11H2,1-7H3
InChIKeyPDZIMYXDPFASAK-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.84
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 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one?
The IUPAC name of 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one (CID 100961890) is 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one.
What is the SMILES notation for 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one?
The canonical SMILES for 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one is CC(=O)CC1C=C(O[Si](C(C)C)(C(C)C)C(C)C)CCC1.
What is the InChIKey of 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one?
The InChIKey is PDZIMYXDPFASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)20-18-10-8-9-17(12-18)11-16(7)19/h12-15,17H,8-11H2,1-7H3.
What are the key properties of 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one?
1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one has a molecular weight of 310.55 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]propan-2-one is sourced from PubChem (CID 100961890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).