ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)

C33H70O4 — CID 173186876

IUPACethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=CC.C=CC.C=CC.C=CC.COCCO.OCCO
InChIInChI=1S/C3H8O2.4C3H6.C2H6O2.8C2H4/c1-5-3-2-4;4*1-3-2;3-1-2-4;8*1-2/h4H,2-3H2,1H3;4*3H,1H2,2H3;3-4H,1-2H2;8*1-2H2
InChIKeyUDJQFRZFTRNVIG-UHFFFAOYSA-N
MW530.92 g/mol
LogP9.78
Rot. Bonds3

About ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)

ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene) (PubChem CID 173186876) has the molecular formula C33H70O4 and a molecular weight of 530.92 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
PubChem CID173186876
Molecular FormulaC33H70O4
Molecular Weight530.92 g/mol
Exact Mass530.53
IUPAC Nameethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=CC.C=CC.C=CC.C=CC.COCCO.OCCO
InChIInChI=1S/C3H8O2.4C3H6.C2H6O2.8C2H4/c1-5-3-2-4;4*1-3-2;3-1-2-4;8*1-2/h4H,2-3H2,1H3;4*3H,1H2,2H3;3-4H,1-2H2;8*1-2H2
InChIKeyUDJQFRZFTRNVIG-UHFFFAOYSA-N
XLogP9.78
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.92
LogP ≤ 59.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
CID 173295761
bismuthane;2-methoxyethanol
CID 174782924
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
sodium 2-methoxyethanol
CID 21124383
ethane;2-methoxyethanol
CID 175109361
2-methoxyethanol;sulfane
CID 174965249

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene) (CID 173186876) is ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene) is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=CC.C=CC.C=CC.C=CC.COCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)?
The InChIKey is UDJQFRZFTRNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.4C3H6.C2H6O2.8C2H4/c1-5-3-2-4;4*1-3-2;3-1-2-4;8*1-2/h4H,2-3H2,1H3;4*3H,1H2,2H3;3-4H,1-2H2;8*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)?
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene) has a molecular weight of 530.92 g/mol, XLogP of 9.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene) is sourced from PubChem (CID 173186876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).