2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol

C10H22NO6P — CID 23261420

IUPAC2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol
SMILESCC(C)OP(=O)(OC(C)C)C(C)(O)C(C)[N+](=O)[O-]
InChIInChI=1S/C10H22NO6P/c1-7(2)16-18(15,17-8(3)4)10(6,12)9(5)11(13)14/h7-9,12H,1-6H3
InChIKeyXIDRYVXKCXXOJD-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.40
Rot. Bonds7

About 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol

2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol (PubChem CID 23261420) has the molecular formula C10H22NO6P and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol
PubChem CID23261420
Molecular FormulaC10H22NO6P
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Name2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol
SMILESCC(C)OP(=O)(OC(C)C)C(C)(O)C(C)[N+](=O)[O-]
InChIInChI=1S/C10H22NO6P/c1-7(2)16-18(15,17-8(3)4)10(6,12)9(5)11(13)14/h7-9,12H,1-6H3
InChIKeyXIDRYVXKCXXOJD-UHFFFAOYSA-N
XLogP2.40
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975
3,3-dimethyl-4-nitropentan-1-ol
CID 118212610
1-chloro-4-di(propan-2-yloxy)phosphoryl-4,4-difluorobutan-2-ol
CID 102390088
2-methyl-3-nitro-2-nitrosobutane
CID 119096339
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
copper bis(dipropan-2-yl phosphate)
CID 159825108
2,2-dimethyl-3-nitrobutanenitrile
CID 14112823
4-methyl-4-nitropentan-2-ol
CID 12028005
3-bromo-1-[2-di(propan-2-yloxy)phosphorylpropan-2-yloxy]-3-methylbutane
CID 143869393
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 129387352
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol?
The IUPAC name of 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol (CID 23261420) is 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol?
The canonical SMILES for 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol is CC(C)OP(=O)(OC(C)C)C(C)(O)C(C)[N+](=O)[O-].
What is the InChIKey of 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol?
The InChIKey is XIDRYVXKCXXOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO6P/c1-7(2)16-18(15,17-8(3)4)10(6,12)9(5)11(13)14/h7-9,12H,1-6H3.
What are the key properties of 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol?
2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol has a molecular weight of 283.26 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol is sourced from PubChem (CID 23261420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).