2-ethenyl-6-trityloxycyclohexan-1-ol

C27H28O2 — CID 69086369

IUPAC2-ethenyl-6-trityloxycyclohexan-1-ol
SMILESC=CC1CCCC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C27H28O2/c1-2-21-13-12-20-25(26(21)28)29-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,14-19,21,25-26,28H,1,12-13,20H2
InChIKeyGVNCSNNTPPKPBE-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.71
Rot. Bonds6

About 2-ethenyl-6-trityloxycyclohexan-1-ol

2-ethenyl-6-trityloxycyclohexan-1-ol (PubChem CID 69086369) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-ethenyl-6-trityloxycyclohexan-1-ol.

Molecular Properties

Compound Name2-ethenyl-6-trityloxycyclohexan-1-ol
PubChem CID69086369
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name2-ethenyl-6-trityloxycyclohexan-1-ol
SMILESC=CC1CCCC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O
InChIInChI=1S/C27H28O2/c1-2-21-13-12-20-25(26(21)28)29-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,14-19,21,25-26,28H,1,12-13,20H2
InChIKeyGVNCSNNTPPKPBE-UHFFFAOYSA-N
XLogP5.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-trityloxycyclohexan-1-ol?
The IUPAC name of 2-ethenyl-6-trityloxycyclohexan-1-ol (CID 69086369) is 2-ethenyl-6-trityloxycyclohexan-1-ol.
What is the SMILES notation for 2-ethenyl-6-trityloxycyclohexan-1-ol?
The canonical SMILES for 2-ethenyl-6-trityloxycyclohexan-1-ol is C=CC1CCCC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O.
What is the InChIKey of 2-ethenyl-6-trityloxycyclohexan-1-ol?
The InChIKey is GVNCSNNTPPKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O2/c1-2-21-13-12-20-25(26(21)28)29-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h2-11,14-19,21,25-26,28H,1,12-13,20H2.
What are the key properties of 2-ethenyl-6-trityloxycyclohexan-1-ol?
2-ethenyl-6-trityloxycyclohexan-1-ol has a molecular weight of 384.52 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-trityloxycyclohexan-1-ol is sourced from PubChem (CID 69086369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).