2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

C20H34N2O4 — CID 10570945

IUPAC2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCC(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)C
InChIInChI=1S/C20H34N2O4/c1-14(2)23-12-17-18(13-24-15(3)4)26-20(25-17)19(21-22(5)6)16-10-8-7-9-11-16/h7-11,14-15,17-21H,12-13H2,1-6H3/t17-,18-,19-/m0/s1
InChIKeyYJDZEUFLHVYZJT-FHWLQOOXSA-N
MW366.50 g/mol
LogP2.75
Rot. Bonds10

About 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (PubChem CID 10570945) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
PubChem CID10570945
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCC(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)C
InChIInChI=1S/C20H34N2O4/c1-14(2)23-12-17-18(13-24-15(3)4)26-20(25-17)19(21-22(5)6)16-10-8-7-9-11-16/h7-11,14-15,17-21H,12-13H2,1-6H3/t17-,18-,19-/m0/s1
InChIKeyYJDZEUFLHVYZJT-FHWLQOOXSA-N
XLogP2.75
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (CID 10570945) is 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is CC(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)C.
What is the InChIKey of 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The InChIKey is YJDZEUFLHVYZJT-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-14(2)23-12-17-18(13-24-15(3)4)26-20(25-17)19(21-22(5)6)16-10-8-7-9-11-16/h7-11,14-15,17-21H,12-13H2,1-6H3/t17-,18-,19-/m0/s1.
What are the key properties of 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine has a molecular weight of 366.50 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(4S,5S)-4,5-bis(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 10570945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).