2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

C22H38N2O4 — CID 10810656

IUPAC2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCN(C)N[C@H](c1ccccc1)C1O[C@@H](COC(C)(C)C)[C@H](COC(C)(C)C)O1
InChIInChI=1S/C22H38N2O4/c1-21(2,3)25-14-17-18(15-26-22(4,5)6)28-20(27-17)19(23-24(7)8)16-12-10-9-11-13-16/h9-13,17-20,23H,14-15H2,1-8H3/t17-,18-,19+/m0/s1
InChIKeyFTTQIRGIMRBBKU-GBESFXJTSA-N
MW394.56 g/mol
LogP3.53
Rot. Bonds8

About 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine

2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (PubChem CID 10810656) has the molecular formula C22H38N2O4 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
PubChem CID10810656
Molecular FormulaC22H38N2O4
Molecular Weight394.56 g/mol
Exact Mass394.28
IUPAC Name2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine
SMILESCN(C)N[C@H](c1ccccc1)C1O[C@@H](COC(C)(C)C)[C@H](COC(C)(C)C)O1
InChIInChI=1S/C22H38N2O4/c1-21(2,3)25-14-17-18(15-26-22(4,5)6)28-20(27-17)19(23-24(7)8)16-12-10-9-11-13-16/h9-13,17-20,23H,14-15H2,1-8H3/t17-,18-,19+/m0/s1
InChIKeyFTTQIRGIMRBBKU-GBESFXJTSA-N
XLogP3.53
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.53
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-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine (CID 10810656) is 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is CN(C)N[C@H](c1ccccc1)C1O[C@@H](COC(C)(C)C)[C@H](COC(C)(C)C)O1.
What is the InChIKey of 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
The InChIKey is FTTQIRGIMRBBKU-GBESFXJTSA-N. The full InChI is InChI=1S/C22H38N2O4/c1-21(2,3)25-14-17-18(15-26-22(4,5)6)28-20(27-17)19(23-24(7)8)16-12-10-9-11-13-16/h9-13,17-20,23H,14-15H2,1-8H3/t17-,18-,19+/m0/s1.
What are the key properties of 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine?
2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine has a molecular weight of 394.56 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]-phenylmethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 10810656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).