[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate

C14H26NO8P — CID 15280278

IUPAC[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate
SMILESCOC(=O)ON(C(=O)OC)C(C)/C=C/P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H26NO8P/c1-10(2)22-24(18,23-11(3)4)9-8-12(5)15(13(16)19-6)21-14(17)20-7/h8-12H,1-7H3/b9-8+
InChIKeyIVCPLWLQRLCUNE-CMDGGOBGSA-N
MW367.34 g/mol
LogP3.70
Rot. Bonds7

About [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate

[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate (PubChem CID 15280278) has the molecular formula C14H26NO8P and a molecular weight of 367.34 g/mol. Its IUPAC name is [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate.

Molecular Properties

Compound Name[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate
PubChem CID15280278
Molecular FormulaC14H26NO8P
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate
SMILESCOC(=O)ON(C(=O)OC)C(C)/C=C/P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H26NO8P/c1-10(2)22-24(18,23-11(3)4)9-8-12(5)15(13(16)19-6)21-14(17)20-7/h8-12H,1-7H3/b9-8+
InChIKeyIVCPLWLQRLCUNE-CMDGGOBGSA-N
XLogP3.70
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate?
The IUPAC name of [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate (CID 15280278) is [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate.
What is the SMILES notation for [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate?
The canonical SMILES for [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate is COC(=O)ON(C(=O)OC)C(C)/C=C/P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate?
The InChIKey is IVCPLWLQRLCUNE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26NO8P/c1-10(2)22-24(18,23-11(3)4)9-8-12(5)15(13(16)19-6)21-14(17)20-7/h8-12H,1-7H3/b9-8+.
What are the key properties of [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate?
[[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate has a molecular weight of 367.34 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-4-di(propan-2-yloxy)phosphorylbut-3-en-2-yl]-methoxycarbonylamino] methyl carbonate is sourced from PubChem (CID 15280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).