2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal

C11H22N2O2 — CID 167245652

IUPAC2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal
SMILESCC=C(C)C(O)C(C)NNC(C)(C)C=O
InChIInChI=1S/C11H22N2O2/c1-6-8(2)10(15)9(3)12-13-11(4,5)7-14/h6-7,9-10,12-13,15H,1-5H3
InChIKeyWSSKCGYUSDOQNB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal

2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal (PubChem CID 167245652) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal
PubChem CID167245652
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal
SMILESCC=C(C)C(O)C(C)NNC(C)(C)C=O
InChIInChI=1S/C11H22N2O2/c1-6-8(2)10(15)9(3)12-13-11(4,5)7-14/h6-7,9-10,12-13,15H,1-5H3
InChIKeyWSSKCGYUSDOQNB-UHFFFAOYSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal?
The IUPAC name of 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal (CID 167245652) is 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal.
What is the SMILES notation for 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal?
The canonical SMILES for 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal is CC=C(C)C(O)C(C)NNC(C)(C)C=O.
What is the InChIKey of 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal?
The InChIKey is WSSKCGYUSDOQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-8(2)10(15)9(3)12-13-11(4,5)7-14/h6-7,9-10,12-13,15H,1-5H3.
What are the key properties of 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal?
2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal has a molecular weight of 214.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal is sourced from PubChem (CID 167245652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).