di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate

C11H23O6P — CID 12810488

IUPACdi(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O6P/c1-8(2)15-11(12)14-7-18(13,16-9(3)4)17-10(5)6/h8-10H,7H2,1-6H3
InChIKeyGIMBCEWYQVXYOX-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.55
Rot. Bonds7

About di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate

di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate (PubChem CID 12810488) has the molecular formula C11H23O6P and a molecular weight of 282.27 g/mol. Its IUPAC name is di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate.

Molecular Properties

Compound Namedi(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
PubChem CID12810488
Molecular FormulaC11H23O6P
Molecular Weight282.27 g/mol
Exact Mass282.12
IUPAC Namedi(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O6P/c1-8(2)15-11(12)14-7-18(13,16-9(3)4)17-10(5)6/h8-10H,7H2,1-6H3
InChIKeyGIMBCEWYQVXYOX-UHFFFAOYSA-N
XLogP3.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
CID 10965753
[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate
CID 141337783
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
2-bromoethyl propan-2-yl carbonate
CID 103970527
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
CID 54049884
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
2-di(propan-2-yloxy)phosphorylethanimidamide
CID 12609538
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate?
The IUPAC name of di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate (CID 12810488) is di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate.
What is the SMILES notation for di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate?
The canonical SMILES for di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate is CC(C)OC(=O)OCP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate?
The InChIKey is GIMBCEWYQVXYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O6P/c1-8(2)15-11(12)14-7-18(13,16-9(3)4)17-10(5)6/h8-10H,7H2,1-6H3.
What are the key properties of di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate?
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate has a molecular weight of 282.27 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate is sourced from PubChem (CID 12810488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).