[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate

C16H24O6 — CID 57342766

IUPAC[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate
SMILESC=CC(=O)O[C@H](C)CC[C@@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)C=C
InChIInChI=1S/C16H24O6/c1-5-14(18)12(4)22-16(20)10-9-13(17)8-7-11(3)21-15(19)6-2/h5-6,9-14,17-18H,1-2,7-8H2,3-4H3/b10-9+/t11-,12-,13-,14+/m1/s1
InChIKeyXESZSTBNZZJRTB-DCOHZSIJSA-N
MW312.36 g/mol
LogP1.28
Rot. Bonds10

About [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate

[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate (PubChem CID 57342766) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate.

Molecular Properties

Compound Name[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate
PubChem CID57342766
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate
SMILESC=CC(=O)O[C@H](C)CC[C@@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)C=C
InChIInChI=1S/C16H24O6/c1-5-14(18)12(4)22-16(20)10-9-13(17)8-7-11(3)21-15(19)6-2/h5-6,9-14,17-18H,1-2,7-8H2,3-4H3/b10-9+/t11-,12-,13-,14+/m1/s1
InChIKeyXESZSTBNZZJRTB-DCOHZSIJSA-N
XLogP1.28
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,4S,7R)-7-[(E,4S,7R)-4,7-dihydroxyoct-2-enoyl]oxy-4-hydroxyoct-2-enoic acid
CID 132969610
[(2S,3R)-3-hydroxypent-4-en-2-yl] (4R,5S)-4-hydroxy-5-[(3R)-3-prop-2-enoyloxybutanoyl]oxyhexanoate
CID 24770706
5-methylhexan-2-yl prop-2-enoate
CID 151222941
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[(2R)-4-(5-oxooxolan-2-yl)butan-2-yl] (E,4S,7R)-4,7-dihydroxyoct-2-enoate
CID 25067847

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate?
The IUPAC name of [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate (CID 57342766) is [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate.
What is the SMILES notation for [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate?
The canonical SMILES for [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate is C=CC(=O)O[C@H](C)CC[C@@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)C=C.
What is the InChIKey of [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate?
The InChIKey is XESZSTBNZZJRTB-DCOHZSIJSA-N. The full InChI is InChI=1S/C16H24O6/c1-5-14(18)12(4)22-16(20)10-9-13(17)8-7-11(3)21-15(19)6-2/h5-6,9-14,17-18H,1-2,7-8H2,3-4H3/b10-9+/t11-,12-,13-,14+/m1/s1.
What are the key properties of [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate?
[(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate has a molecular weight of 312.36 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-hydroxypent-4-en-2-yl] (E,4R,7R)-4-hydroxy-7-prop-2-enoyloxyoct-2-enoate is sourced from PubChem (CID 57342766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).