3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate

C15H24O6 — CID 174299027

IUPAC3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate
SMILESC=C(CC(C)O)C(=O)OCCCOC(=O)C(=C)CC(C)O
InChIInChI=1S/C15H24O6/c1-10(8-12(3)16)14(18)20-6-5-7-21-15(19)11(2)9-13(4)17/h12-13,16-17H,1-2,5-9H2,3-4H3
InChIKeyARABMHKLXTYNBI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.12
Rot. Bonds10

About 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate

3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate (PubChem CID 174299027) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate.

Molecular Properties

Compound Name3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate
PubChem CID174299027
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate
SMILESC=C(CC(C)O)C(=O)OCCCOC(=O)C(=C)CC(C)O
InChIInChI=1S/C15H24O6/c1-10(8-12(3)16)14(18)20-6-5-7-21-15(19)11(2)9-13(4)17/h12-13,16-17H,1-2,5-9H2,3-4H3
InChIKeyARABMHKLXTYNBI-UHFFFAOYSA-N
XLogP1.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

propyl 4-hydroxy-2-methylidenepentanoate
CID 88746999
ethenyl 4-hydroxy-2-methylidenepentanoate
CID 57123538
butyl 6-hydroxy-4,4-dimethyl-2-methylideneheptanoate
CID 138965828
pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174792723
3-hydroxypropyl 2-methylidenebutanoate
CID 54326039
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
2-(4-ethyl-2-methylideneoctanoyl)oxyethyl 4-ethyl-2-methylideneoctanoate
CID 87287852
8-methylnonyl 2-[2-(8-methylnonoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 165388741
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
(6-hydroxy-4-methylheptyl) 2-methylprop-2-enoate
CID 175163643
butyl 2-methylidenepentanoate;propan-2-yl 2-methylidenepentanoate
CID 134518483
2-hydroxypropyl 2-(hydroxymethyl)prop-2-enoate
CID 87776610

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate?
The IUPAC name of 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate (CID 174299027) is 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate.
What is the SMILES notation for 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate?
The canonical SMILES for 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate is C=C(CC(C)O)C(=O)OCCCOC(=O)C(=C)CC(C)O.
What is the InChIKey of 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate?
The InChIKey is ARABMHKLXTYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-10(8-12(3)16)14(18)20-6-5-7-21-15(19)11(2)9-13(4)17/h12-13,16-17H,1-2,5-9H2,3-4H3.
What are the key properties of 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate?
3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate has a molecular weight of 300.35 g/mol, XLogP of 1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate is sourced from PubChem (CID 174299027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).