[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol

C17H34O2Si — CID 59735469

IUPAC[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)[Si](OCC1=CCCC(CO)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-8-16(10-17)11-18/h9,13-16,18H,7-8,10-12H2,1-6H3
InChIKeyUCSLBNPFTQLMIC-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.90
Rot. Bonds7

About [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol

[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (PubChem CID 59735469) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
PubChem CID59735469
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)[Si](OCC1=CCCC(CO)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-8-16(10-17)11-18/h9,13-16,18H,7-8,10-12H2,1-6H3
InChIKeyUCSLBNPFTQLMIC-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (CID 59735469) is [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is CC(C)[Si](OCC1=CCCC(CO)C1)(C(C)C)C(C)C.
What is the InChIKey of [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is UCSLBNPFTQLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-8-16(10-17)11-18/h9,13-16,18H,7-8,10-12H2,1-6H3.
What are the key properties of [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
[3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 298.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 59735469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).