4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)

C19H32O7 — CID 174398632

IUPAC4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(O)C(C)CC
InChIInChI=1S/C7H14O.3C4H6O2/c1-4-6(3)7(8)5-2;3*1-3(2)4(5)6/h5-8H,2,4H2,1,3H3;3*1H2,2H3,(H,5,6)
InChIKeyHWVALXSLEXADLD-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.52
Rot. Bonds6

About 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)

4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid) (PubChem CID 174398632) has the molecular formula C19H32O7 and a molecular weight of 372.46 g/mol. Its IUPAC name is 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
PubChem CID174398632
Molecular FormulaC19H32O7
Molecular Weight372.46 g/mol
Exact Mass372.21
IUPAC Name4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(O)C(C)CC
InChIInChI=1S/C7H14O.3C4H6O2/c1-4-6(3)7(8)5-2;3*1-3(2)4(5)6/h5-8H,2,4H2,1,3H3;3*1H2,2H3,(H,5,6)
InChIKeyHWVALXSLEXADLD-UHFFFAOYSA-N
XLogP3.52
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;prop-2-enyl 3-hydroxy-2-methylidenepentaneperoxoate
CID 174525189
ethenamine;2-methylprop-2-enoic acid
CID 18702482
methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
CID 174807958
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158771008
CID 173413432
CID 173413432
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222
2,3-dimethylhexane-2,4-diol;2-methylprop-2-enoic acid
CID 174424376
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol;2-methylprop-2-enoic acid
CID 174847356

Frequently Asked Questions

What is the IUPAC name of 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)?
The IUPAC name of 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid) (CID 174398632) is 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid).
What is the SMILES notation for 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)?
The canonical SMILES for 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(O)C(C)CC.
What is the InChIKey of 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)?
The InChIKey is HWVALXSLEXADLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.3C4H6O2/c1-4-6(3)7(8)5-2;3*1-3(2)4(5)6/h5-8H,2,4H2,1,3H3;3*1H2,2H3,(H,5,6).
What are the key properties of 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)?
4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid) has a molecular weight of 372.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174398632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).