trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol

C23H30N2O — CID 10473101

IUPACtrans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCC[C@@]1(O)CCCC[C@H]1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-3-11-18-23(26)19-12-10-17-22(23)24-25(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h2,4-9,13-16,22,24,26H,1,3,10-12,17-19H2/t22-,23-/m1/s1
InChIKeyMQHIHOGQUDZKFG-DHIUTWEWSA-N
MW350.51 g/mol
LogP5.36
Rot. Bonds8

About trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol

trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol (PubChem CID 10473101) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol
PubChem CID10473101
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Nametrans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCC[C@@]1(O)CCCC[C@H]1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-3-11-18-23(26)19-12-10-17-22(23)24-25(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h2,4-9,13-16,22,24,26H,1,3,10-12,17-19H2/t22-,23-/m1/s1
InChIKeyMQHIHOGQUDZKFG-DHIUTWEWSA-N
XLogP5.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol (CID 10473101) is trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol is C=CCCC[C@@]1(O)CCCC[C@H]1NN(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol?
The InChIKey is MQHIHOGQUDZKFG-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-3-11-18-23(26)19-12-10-17-22(23)24-25(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h2,4-9,13-16,22,24,26H,1,3,10-12,17-19H2/t22-,23-/m1/s1.
What are the key properties of trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol?
trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol has a molecular weight of 350.51 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol is sourced from PubChem (CID 10473101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).