4,4-bis(2-methoxyethoxy)butyl prop-2-enoate

C13H24O6 — CID 87318411

IUPAC4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC(OCCOC)OCCOC
InChIInChI=1S/C13H24O6/c1-4-12(14)17-7-5-6-13(18-10-8-15-2)19-11-9-16-3/h4,13H,1,5-11H2,2-3H3
InChIKeySNBUBBRPGNVVSB-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.15
Rot. Bonds13

About 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate

4,4-bis(2-methoxyethoxy)butyl prop-2-enoate (PubChem CID 87318411) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate.

Molecular Properties

Compound Name4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
PubChem CID87318411
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC(OCCOC)OCCOC
InChIInChI=1S/C13H24O6/c1-4-12(14)17-7-5-6-13(18-10-8-15-2)19-11-9-16-3/h4,13H,1,5-11H2,2-3H3
InChIKeySNBUBBRPGNVVSB-UHFFFAOYSA-N
XLogP1.15
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxybutyl prop-2-enoate
CID 22321356
4-aminohexyl prop-2-enoate
CID 91140688
4-methylhexyl prop-2-enoate
CID 58980362
4-sulfanylhexyl prop-2-enoate
CID 141236879
6-prop-2-enoyloxyhexane-3-sulfonic acid
CID 140531480
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-hydroxyoctyl prop-2-enoate
CID 142754995

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate?
The IUPAC name of 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate (CID 87318411) is 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate.
What is the SMILES notation for 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate?
The canonical SMILES for 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate is C=CC(=O)OCCCC(OCCOC)OCCOC.
What is the InChIKey of 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate?
The InChIKey is SNBUBBRPGNVVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-4-12(14)17-7-5-6-13(18-10-8-15-2)19-11-9-16-3/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate?
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 1.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-methoxyethoxy)butyl prop-2-enoate is sourced from PubChem (CID 87318411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).