2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate

C15H24O5 — CID 174767128

IUPAC2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CC(O)CCCCCCO
InChIInChI=1S/C15H24O5/c1-11(2)14(18)20-15(19)12(3)10-13(17)8-6-4-5-7-9-16/h10,13,16-17H,1,4-9H2,2-3H3
InChIKeyKCXPHTGLKQDFSE-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.88
Rot. Bonds9

About 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate

2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate (PubChem CID 174767128) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate
PubChem CID174767128
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CC(O)CCCCCCO
InChIInChI=1S/C15H24O5/c1-11(2)14(18)20-15(19)12(3)10-13(17)8-6-4-5-7-9-16/h10,13,16-17H,1,4-9H2,2-3H3
InChIKeyKCXPHTGLKQDFSE-UHFFFAOYSA-N
XLogP1.88
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoyl 4,7-dihydroxy-2-methylhept-2-enoate
CID 174774557
4,17-dihydroxy-2-methylheptadec-2-enoic acid
CID 57306862
4,14-dihydroxy-2-methyltetradec-2-enoic acid
CID 155224874
4,12-dihydroxy-2-methyldodec-2-enoic acid
CID 90823727
2-methylprop-2-enoyl 2,4-dimethylhex-2-enoate
CID 174410729
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(2-methylprop-2-enoyl) 2,4-dimethyl-5-methylidenehex-2-enedioate
CID 88641732
4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
CID 173155941
(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 139797896
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
7-(1,6,9,14-tetrahydroxytetradec-7-en-7-yloxy)tetradec-7-ene-1,6,9,14-tetrol
CID 57175199

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate (CID 174767128) is 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate is C=C(C)C(=O)OC(=O)C(C)=CC(O)CCCCCCO.
What is the InChIKey of 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate?
The InChIKey is KCXPHTGLKQDFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-11(2)14(18)20-15(19)12(3)10-13(17)8-6-4-5-7-9-16/h10,13,16-17H,1,4-9H2,2-3H3.
What are the key properties of 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate?
2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate is sourced from PubChem (CID 174767128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).