methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)

C17H34O7 — CID 173223489

IUPACmethane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)
SMILESC.C.C.C=C(OCCCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C8H14O3.2C3H4O2.3CH4/c1-3-4-5-6-11-7(2)8(9)10;2*1-2-3(4)5;;;/h2-6H2,1H3,(H,9,10);2*2H,1H2,(H,4,5);3*1H4
InChIKeyUGRUJLSPFRTWOH-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.21
Rot. Bonds8

About methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)

methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) (PubChem CID 173223489) has the molecular formula C17H34O7 and a molecular weight of 350.45 g/mol. Its IUPAC name is methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid).

Molecular Properties

Compound Namemethane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)
PubChem CID173223489
Molecular FormulaC17H34O7
Molecular Weight350.45 g/mol
Exact Mass350.23
IUPAC Namemethane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)
SMILESC.C.C.C=C(OCCCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C8H14O3.2C3H4O2.3CH4/c1-3-4-5-6-11-7(2)8(9)10;2*1-2-3(4)5;;;/h2-6H2,1H3,(H,9,10);2*2H,1H2,(H,4,5);3*1H4
InChIKeyUGRUJLSPFRTWOH-UHFFFAOYSA-N
XLogP4.21
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 157258625
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
ethenol;hexyl prop-2-enoate;prop-2-enoic acid
CID 88838296
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
nonyl 2-methylidenedodecanoate;prop-2-enoic acid
CID 135390219
propane-1,2,3-triol;bis(prop-2-enoic acid);2-propoxyprop-2-enoic acid
CID 173025781

Frequently Asked Questions

What is the IUPAC name of methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The IUPAC name of methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) (CID 173223489) is methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid).
What is the SMILES notation for methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The canonical SMILES for methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) is C.C.C.C=C(OCCCCC)C(=O)O.C=CC(=O)O.C=CC(=O)O.
What is the InChIKey of methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The InChIKey is UGRUJLSPFRTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.2C3H4O2.3CH4/c1-3-4-5-6-11-7(2)8(9)10;2*1-2-3(4)5;;;/h2-6H2,1H3,(H,9,10);2*2H,1H2,(H,4,5);3*1H4.
What are the key properties of methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)?
methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) has a molecular weight of 350.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid) is sourced from PubChem (CID 173223489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).