6-(hydroxymethoxy)hexyl prop-2-enoate

C10H18O4 — CID 130426274

IUPAC6-(hydroxymethoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCO
InChIInChI=1S/C10H18O4/c1-2-10(12)14-8-6-4-3-5-7-13-9-11/h2,11H,1,3-9H2
InChIKeyYZDHTCHJJAAJCV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.24
Rot. Bonds9

About 6-(hydroxymethoxy)hexyl prop-2-enoate

6-(hydroxymethoxy)hexyl prop-2-enoate (PubChem CID 130426274) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-(hydroxymethoxy)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(hydroxymethoxy)hexyl prop-2-enoate
PubChem CID130426274
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name6-(hydroxymethoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCO
InChIInChI=1S/C10H18O4/c1-2-10(12)14-8-6-4-3-5-7-13-9-11/h2,11H,1,3-9H2
InChIKeyYZDHTCHJJAAJCV-UHFFFAOYSA-N
XLogP1.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
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
6-ethoxyhexyl prop-2-enoate
CID 88877184
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
5-hexoxypentyl prop-2-enoate
CID 141336215
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethoxy)hexyl prop-2-enoate?
The IUPAC name of 6-(hydroxymethoxy)hexyl prop-2-enoate (CID 130426274) is 6-(hydroxymethoxy)hexyl prop-2-enoate.
What is the SMILES notation for 6-(hydroxymethoxy)hexyl prop-2-enoate?
The canonical SMILES for 6-(hydroxymethoxy)hexyl prop-2-enoate is C=CC(=O)OCCCCCCOCO.
What is the InChIKey of 6-(hydroxymethoxy)hexyl prop-2-enoate?
The InChIKey is YZDHTCHJJAAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-10(12)14-8-6-4-3-5-7-13-9-11/h2,11H,1,3-9H2.
What are the key properties of 6-(hydroxymethoxy)hexyl prop-2-enoate?
6-(hydroxymethoxy)hexyl prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethoxy)hexyl prop-2-enoate is sourced from PubChem (CID 130426274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).