ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid

C15H26O5 — CID 174637814

IUPACethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid
SMILESC=CC(=O)O.C=COC=C.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C4H6O.C3H4O2/c9-6-8(7-10)4-2-1-3-5-8;1-3-5-4-2;1-2-3(4)5/h9-10H,1-7H2;3-4H,1-2H2;2H,1H2,(H,4,5)
InChIKeyIEWFTJVKDJVULV-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.47
Rot. Bonds5

About ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid

ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid (PubChem CID 174637814) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid.

Molecular Properties

Compound Nameethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid
PubChem CID174637814
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Nameethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid
SMILESC=CC(=O)O.C=COC=C.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C4H6O.C3H4O2/c9-6-8(7-10)4-2-1-3-5-8;1-3-5-4-2;1-2-3(4)5/h9-10H,1-7H2;3-4H,1-2H2;2H,1H2,(H,4,5)
InChIKeyIEWFTJVKDJVULV-UHFFFAOYSA-N
XLogP2.47
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
ethenoxyethene;[3-(hydroxymethyl)oxetan-3-yl]methanol
CID 89183778
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
(E)-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobut-2-enoic acid
CID 103965499
[1,2,2-tris(hydroxymethyl)cyclodecyl]methyl prop-2-enoate
CID 118386791
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid?
The IUPAC name of ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid (CID 174637814) is ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid.
What is the SMILES notation for ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid?
The canonical SMILES for ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid is C=CC(=O)O.C=COC=C.OCC1(CO)CCCCC1.
What is the InChIKey of ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid?
The InChIKey is IEWFTJVKDJVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H6O.C3H4O2/c9-6-8(7-10)4-2-1-3-5-8;1-3-5-4-2;1-2-3(4)5/h9-10H,1-7H2;3-4H,1-2H2;2H,1H2,(H,4,5).
What are the key properties of ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid?
ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid is sourced from PubChem (CID 174637814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).