2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate

C14H22O7 — CID 87346711

IUPAC2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCC(C)OCC(C)OC(=O)C(=C)CO
InChIInChI=1S/C14H22O7/c1-9(5-15)13(17)20-7-11(3)19-8-12(4)21-14(18)10(2)6-16/h11-12,15-16H,1-2,5-8H2,3-4H3
InChIKeyXOTJHHWXPKKAPD-UHFFFAOYSA-N
MW302.32 g/mol
LogP-0.04
Rot. Bonds10

About 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate

2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate (PubChem CID 87346711) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate
PubChem CID87346711
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCC(C)OCC(C)OC(=O)C(=C)CO
InChIInChI=1S/C14H22O7/c1-9(5-15)13(17)20-7-11(3)19-8-12(4)21-14(18)10(2)6-16/h11-12,15-16H,1-2,5-8H2,3-4H3
InChIKeyXOTJHHWXPKKAPD-UHFFFAOYSA-N
XLogP-0.04
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2-hydroxypropyl 2-(hydroxymethyl)prop-2-enoate
CID 87776610
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
2,4-dimethylpentane-1,5-diol;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylprop-2-enoate
CID 87523878
2-methylpropyl 4-hydroxy-2-methylidenebutanoate
CID 175422489
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 87844195
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
1-aminopropyl 2-(hydroxymethyl)prop-2-enoate
CID 141415033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate (CID 87346711) is 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate is C=C(CO)C(=O)OCC(C)OCC(C)OC(=O)C(=C)CO.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate?
The InChIKey is XOTJHHWXPKKAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-9(5-15)13(17)20-7-11(3)19-8-12(4)21-14(18)10(2)6-16/h11-12,15-16H,1-2,5-8H2,3-4H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate?
2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 302.32 g/mol, XLogP of -0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 87346711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).