ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol

C22H46N2O2 — CID 142046944

IUPACethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol
SMILESC/C=C\C=C\C(=N\N)C(CC=O)=C(C)C.C=C(C)O.CC.CC.CCC.[H][H]
InChIInChI=1S/C12H18N2O.C3H6O.C3H8.2C2H6.H2/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3;1-3(2)4;1-3-2;2*1-2;/h4-7,9H,8,13H2,1-3H3;4H,1H2,2H3;3H2,1-2H3;2*1-2H3;1H/b5-4-,7-6+,14-12-;;;;;
InChIKeyXOCAIYAWVDVELC-NDDOKYCZSA-N
MW370.62 g/mol
LogP7.15
Rot. Bonds5

About ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol

ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol (PubChem CID 142046944) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol.

Molecular Properties

Compound Nameethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol
PubChem CID142046944
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Nameethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol
SMILESC/C=C\C=C\C(=N\N)C(CC=O)=C(C)C.C=C(C)O.CC.CC.CCC.[H][H]
InChIInChI=1S/C12H18N2O.C3H6O.C3H8.2C2H6.H2/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3;1-3(2)4;1-3-2;2*1-2;/h4-7,9H,8,13H2,1-3H3;4H,1H2,2H3;3H2,1-2H3;2*1-2H3;1H/b5-4-,7-6+,14-12-;;;;;
InChIKeyXOCAIYAWVDVELC-NDDOKYCZSA-N
XLogP7.15
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal
CID 142046945

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol?
The IUPAC name of ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol (CID 142046944) is ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol.
What is the SMILES notation for ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol?
The canonical SMILES for ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol is C/C=C\C=C\C(=N\N)C(CC=O)=C(C)C.C=C(C)O.CC.CC.CCC.[H][H].
What is the InChIKey of ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol?
The InChIKey is XOCAIYAWVDVELC-NDDOKYCZSA-N. The full InChI is InChI=1S/C12H18N2O.C3H6O.C3H8.2C2H6.H2/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3;1-3(2)4;1-3-2;2*1-2;/h4-7,9H,8,13H2,1-3H3;4H,1H2,2H3;3H2,1-2H3;2*1-2H3;1H/b5-4-,7-6+,14-12-;;;;;.
What are the key properties of ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol?
ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol has a molecular weight of 370.62 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol is sourced from PubChem (CID 142046944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).