3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate

C30H58O11 — CID 59641461

IUPAC3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C30H58O11/c1-2-30(32)41-29-11-28-40-27-10-26-39-25-9-24-38-23-8-22-37-21-7-20-36-19-6-18-35-17-5-16-34-15-4-14-33-13-3-12-31/h2,31H,1,3-29H2
InChIKeySYWRMQNMUNWQOX-UHFFFAOYSA-N
MW594.78 g/mol
LogP3.35
Rot. Bonds36

About 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate

3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate (PubChem CID 59641461) has the molecular formula C30H58O11 and a molecular weight of 594.78 g/mol. Its IUPAC name is 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
PubChem CID59641461
Molecular FormulaC30H58O11
Molecular Weight594.78 g/mol
Exact Mass594.40
IUPAC Name3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
InChIInChI=1S/C30H58O11/c1-2-30(32)41-29-11-28-40-27-10-26-39-25-9-24-38-23-8-22-37-21-7-20-36-19-6-18-35-17-5-16-34-15-4-14-33-13-3-12-31/h2,31H,1,3-29H2
InChIKeySYWRMQNMUNWQOX-UHFFFAOYSA-N
XLogP3.35
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propyl prop-2-enoate
CID 123594906
3-hydroxypropyl prop-2-enoate;isocyanic acid
CID 172728608

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate?
The IUPAC name of 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate (CID 59641461) is 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate is C=CC(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO.
What is the InChIKey of 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate?
The InChIKey is SYWRMQNMUNWQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O11/c1-2-30(32)41-29-11-28-40-27-10-26-39-25-9-24-38-23-8-22-37-21-7-20-36-19-6-18-35-17-5-16-34-15-4-14-33-13-3-12-31/h2,31H,1,3-29H2.
What are the key properties of 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate?
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate has a molecular weight of 594.78 g/mol, XLogP of 3.35, 36 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate is sourced from PubChem (CID 59641461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).