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

C26H46N2O4 — CID 10837281

IUPAC2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCC(C)C(C)(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)(C)C(C)C
InChIInChI=1S/C26H46N2O4/c1-18(2)25(5,6)29-16-21-22(17-30-26(7,8)19(3)4)32-24(31-21)23(27-28(9)10)20-14-12-11-13-15-20/h11-15,18-19,21-24,27H,16-17H2,1-10H3/t21-,22-,23-/m0/s1
InChIKeyQUNVBRQELDJTNK-VABKMULXSA-N
MW450.66 g/mol
LogP4.81
Rot. Bonds12

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

2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (PubChem CID 10837281) has the molecular formula C26H46N2O4 and a molecular weight of 450.66 g/mol. Its IUPAC name is 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
PubChem CID10837281
Molecular FormulaC26H46N2O4
Molecular Weight450.66 g/mol
Exact Mass450.35
IUPAC Name2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCC(C)C(C)(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)(C)C(C)C
InChIInChI=1S/C26H46N2O4/c1-18(2)25(5,6)29-16-21-22(17-30-26(7,8)19(3)4)32-24(31-21)23(27-28(9)10)20-14-12-11-13-15-20/h11-15,18-19,21-24,27H,16-17H2,1-10H3/t21-,22-,23-/m0/s1
InChIKeyQUNVBRQELDJTNK-VABKMULXSA-N
XLogP4.81
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 54.81
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(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (CID 10837281) is 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is CC(C)C(C)(C)OC[C@@H]1OC([C@@H](NN(C)C)c2ccccc2)O[C@H]1COC(C)(C)C(C)C.
What is the InChIKey of 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The InChIKey is QUNVBRQELDJTNK-VABKMULXSA-N. The full InChI is InChI=1S/C26H46N2O4/c1-18(2)25(5,6)29-16-21-22(17-30-26(7,8)19(3)4)32-24(31-21)23(27-28(9)10)20-14-12-11-13-15-20/h11-15,18-19,21-24,27H,16-17H2,1-10H3/t21-,22-,23-/m0/s1.
What are the key properties of 2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
2-[(S)-[(4S,5S)-4,5-bis(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine has a molecular weight of 450.66 g/mol, XLogP of 4.81, 12 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(2,3-dimethylbutan-2-yloxymethyl)-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 10837281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).