2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate

C16H29NO7 — CID 89079700

IUPAC2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO7/c1-5-14(18)23-13-12-22-11-10-21-9-8-20-7-6-17-15(19)24-16(2,3)4/h5H,1,6-13H2,2-4H3,(H,17,19)
InChIKeyUSRXKDIVEDECPV-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.29
Rot. Bonds13

About 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate

2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 89079700) has the molecular formula C16H29NO7 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
PubChem CID89079700
Molecular FormulaC16H29NO7
Molecular Weight347.41 g/mol
Exact Mass347.19
IUPAC Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO7/c1-5-14(18)23-13-12-22-11-10-21-9-8-20-7-6-17-15(19)24-16(2,3)4/h5H,1,6-13H2,2-4H3,(H,17,19)
InChIKeyUSRXKDIVEDECPV-UHFFFAOYSA-N
XLogP1.29
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate (CID 89079700) is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is USRXKDIVEDECPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO7/c1-5-14(18)23-13-12-22-11-10-21-9-8-20-7-6-17-15(19)24-16(2,3)4/h5H,1,6-13H2,2-4H3,(H,17,19).
What are the key properties of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate?
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 347.41 g/mol, XLogP of 1.29, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 89079700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).