2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one

C18H34O2Si — CID 10591078

IUPAC2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C(C)C)(C(C)C)C(C)C)C1(O)CCCCC1
InChIInChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)17(19)16(7)18(20)11-9-8-10-12-18/h13-15,20H,7-12H2,1-6H3
InChIKeyLPKJFTWFBCMDHZ-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.02
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one

2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one (PubChem CID 10591078) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one
PubChem CID10591078
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C(C)C)(C(C)C)C(C)C)C1(O)CCCCC1
InChIInChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)17(19)16(7)18(20)11-9-8-10-12-18/h13-15,20H,7-12H2,1-6H3
InChIKeyLPKJFTWFBCMDHZ-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one (CID 10591078) is 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one is C=C(C(=O)[Si](C(C)C)(C(C)C)C(C)C)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one?
The InChIKey is LPKJFTWFBCMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(2)21(14(3)4,15(5)6)17(19)16(7)18(20)11-9-8-10-12-18/h13-15,20H,7-12H2,1-6H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one?
2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one is sourced from PubChem (CID 10591078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).