hexane-1,6-diol;bis(2-methylprop-2-enamide)

C14H28N2O4 — CID 122530831

IUPAChexane-1,6-diol;bis(2-methylprop-2-enamide)
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.OCCCCCCO
InChIInChI=1S/C6H14O2.2C4H7NO/c7-5-3-1-2-4-6-8;2*1-3(2)4(5)6/h7-8H,1-6H2;2*1H2,2H3,(H2,5,6)
InChIKeyNZPQFKNVLOXION-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.63
Rot. Bonds7

About hexane-1,6-diol;bis(2-methylprop-2-enamide)

hexane-1,6-diol;bis(2-methylprop-2-enamide) (PubChem CID 122530831) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is hexane-1,6-diol;bis(2-methylprop-2-enamide).

Molecular Properties

Compound Namehexane-1,6-diol;bis(2-methylprop-2-enamide)
PubChem CID122530831
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namehexane-1,6-diol;bis(2-methylprop-2-enamide)
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.OCCCCCCO
InChIInChI=1S/C6H14O2.2C4H7NO/c7-5-3-1-2-4-6-8;2*1-3(2)4(5)6/h7-8H,1-6H2;2*1H2,2H3,(H2,5,6)
InChIKeyNZPQFKNVLOXION-UHFFFAOYSA-N
XLogP0.63
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
2-methylprop-2-enamide;hydrate
CID 88749193
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
sodium;2-methylprop-2-enamide;propane
CID 159451329
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enoic acid;octan-1-ol
CID 174681035
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;bis(2-methylprop-2-enamide)?
The IUPAC name of hexane-1,6-diol;bis(2-methylprop-2-enamide) (CID 122530831) is hexane-1,6-diol;bis(2-methylprop-2-enamide).
What is the SMILES notation for hexane-1,6-diol;bis(2-methylprop-2-enamide)?
The canonical SMILES for hexane-1,6-diol;bis(2-methylprop-2-enamide) is C=C(C)C(N)=O.C=C(C)C(N)=O.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;bis(2-methylprop-2-enamide)?
The InChIKey is NZPQFKNVLOXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2C4H7NO/c7-5-3-1-2-4-6-8;2*1-3(2)4(5)6/h7-8H,1-6H2;2*1H2,2H3,(H2,5,6).
What are the key properties of hexane-1,6-diol;bis(2-methylprop-2-enamide)?
hexane-1,6-diol;bis(2-methylprop-2-enamide) has a molecular weight of 288.39 g/mol, XLogP of 0.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;bis(2-methylprop-2-enamide) is sourced from PubChem (CID 122530831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).