ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)

C14H22O8 — CID 174976815

IUPACethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
SMILESC=C(CC1CO1)C(=O)O.C=C(CC1CO1)C(=O)O.OCCO
InChIInChI=1S/2C6H8O3.C2H6O2/c2*1-4(6(7)8)2-5-3-9-5;3-1-2-4/h2*5H,1-3H2,(H,7,8);3-4H,1-2H2
InChIKeyALQSSNFHGCEAIV-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.20
Rot. Bonds7

About ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)

ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid) (PubChem CID 174976815) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
PubChem CID174976815
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Nameethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
SMILESC=C(CC1CO1)C(=O)O.C=C(CC1CO1)C(=O)O.OCCO
InChIInChI=1S/2C6H8O3.C2H6O2/c2*1-4(6(7)8)2-5-3-9-5;3-1-2-4/h2*5H,1-3H2,(H,7,8);3-4H,1-2H2
InChIKeyALQSSNFHGCEAIV-UHFFFAOYSA-N
XLogP-0.20
TPSA140.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
CID 146306901
2-methylbut-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173148630
2-methyl-4-(oxiran-2-yl)but-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173299957
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387
2-(oxiran-2-ylmethyl)prop-2-enoyl isocyanate
CID 174529273
5-hydroxy-2-methylidene-3-(oxiran-2-ylmethyl)pentanoic acid
CID 91349686
2-(2-methylprop-2-enyl)oxirane;urea
CID 159105075
N,N-dimethyl-1-(oxiran-2-yl)methanamine;2-methylidenebutanedioic acid
CID 18955534
5-[bis(oxiran-2-ylmethyl)amino]-2-methylidenepentanoic acid
CID 87383142
2-methylidene-4-(oxiran-2-yl)butanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87439948
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
1-(oxiran-2-yl)propan-2-one
CID 15110788

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid) (CID 174976815) is ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid) is C=C(CC1CO1)C(=O)O.C=C(CC1CO1)C(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)?
The InChIKey is ALQSSNFHGCEAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O3.C2H6O2/c2*1-4(6(7)8)2-5-3-9-5;3-1-2-4/h2*5H,1-3H2,(H,7,8);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)?
ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid) has a molecular weight of 318.32 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid) is sourced from PubChem (CID 174976815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).