[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate

C14H24O4 — CID 135038065

IUPAC[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)OC(=O)[C@H](C)[C@@H](O)C(=C)C
InChIInChI=1S/C14H24O4/c1-7-9(4)13(16)11(6)18-14(17)10(5)12(15)8(2)3/h7,9-13,15-16H,1-2H2,3-6H3/t9-,10+,11-,12-,13+/m0/s1
InChIKeyODBDPIMUPXRWDB-FPYNETTCSA-N
MW256.34 g/mol
LogP1.67
Rot. Bonds7

About [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate

[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate (PubChem CID 135038065) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate.

Molecular Properties

Compound Name[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate
PubChem CID135038065
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate
SMILESC=C[C@H](C)[C@@H](O)[C@H](C)OC(=O)[C@H](C)[C@@H](O)C(=C)C
InChIInChI=1S/C14H24O4/c1-7-9(4)13(16)11(6)18-14(17)10(5)12(15)8(2)3/h7,9-13,15-16H,1-2H2,3-6H3/t9-,10+,11-,12-,13+/m0/s1
InChIKeyODBDPIMUPXRWDB-FPYNETTCSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate with MolForge

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Launch Full Analysis

Related Compounds

Propan-2-yl 2-ethenyl-2-hydroxy-4-methylpent-4-enoate
CID 11127238
methyl (3R,4S)-3-hydroxy-4-methylhex-5-enoate
CID 11586337
methyl (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoate
CID 13348223
Ethyl 2-(1-hydroxyprop-2-enyl)-5-methylnona-3,4-dienoate
CID 15681088
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]pent-4-enoate
CID 101412857
Ethyl 2-(1-hydroxybut-3-enyl)-5-methylnona-3,4-dienoate
CID 134983320
(2S,3R,4S,5E,7R,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 135038038
methyl (2R,3S)-2-ethenyl-3-hydroxypentanoate
CID 139242161
methyl (2S,3S)-2-ethenyl-3-hydroxypentanoate
CID 139242162
methyl (2S,3S)-2-ethenyl-3-hydroxy-4-methylpentanoate
CID 139242163
Methyl 3-hydroxy-2,4-dimethylpent-4-enoate
CID 13152659
methyl (2S,3R)-3-hydroxy-2,4-dimethylpent-4-enoate
CID 13152660

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate?
The IUPAC name of [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate (CID 135038065) is [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate.
What is the SMILES notation for [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate?
The canonical SMILES for [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate is C=C[C@H](C)[C@@H](O)[C@H](C)OC(=O)[C@H](C)[C@@H](O)C(=C)C.
What is the InChIKey of [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate?
The InChIKey is ODBDPIMUPXRWDB-FPYNETTCSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-9(4)13(16)11(6)18-14(17)10(5)12(15)8(2)3/h7,9-13,15-16H,1-2H2,3-6H3/t9-,10+,11-,12-,13+/m0/s1.
What are the key properties of [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate?
[(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate has a molecular weight of 256.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-3-hydroxy-4-methylhex-5-en-2-yl] (2R,3R)-3-hydroxy-2,4-dimethylpent-4-enoate is sourced from PubChem (CID 135038065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).