O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine

C40H78N2O2 — CID 59976774

IUPACO-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
SMILESCCCCCCC1C=CC(CCCCCCCCONCCCC)C(/C=C\CCCCCCCCON)C1CCCCCC
InChIInChI=1S/C40H78N2O2/c1-4-7-10-22-28-37-32-33-38(29-23-18-15-17-21-27-36-44-42-34-9-6-3)40(39(37)30-24-11-8-5-2)31-25-19-14-12-13-16-20-26-35-43-41/h25,31-33,37-40,42H,4-24,26-30,34-36,41H2,1-3H3/b31-25-
InChIKeyKSFXVQNCZBZTEE-GDWJVWIDSA-N
MW619.08 g/mol
LogP12.19
Rot. Bonds33

About O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine

O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine (PubChem CID 59976774) has the molecular formula C40H78N2O2 and a molecular weight of 619.08 g/mol. Its IUPAC name is O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
PubChem CID59976774
Molecular FormulaC40H78N2O2
Molecular Weight619.08 g/mol
Exact Mass618.61
IUPAC NameO-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
SMILESCCCCCCC1C=CC(CCCCCCCCONCCCC)C(/C=C\CCCCCCCCON)C1CCCCCC
InChIInChI=1S/C40H78N2O2/c1-4-7-10-22-28-37-32-33-38(29-23-18-15-17-21-27-36-44-42-34-9-6-3)40(39(37)30-24-11-8-5-2)31-25-19-14-12-13-16-20-26-35-43-41/h25,31-33,37-40,42H,4-24,26-30,34-36,41H2,1-3H3/b31-25-
InChIKeyKSFXVQNCZBZTEE-GDWJVWIDSA-N
XLogP12.19
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.08
LogP ≤ 512.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine with MolForge

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Related Compounds

O-[(E)-10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 20713238
O-[10-[2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 73700092
O-[10-[(2R)-2-[8-[3-(dimethylamino)propylamino]oxyoctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 90830459
(Z)-heptadec-9-en-1-amine;methane;9-(2-methoxyethyl)heptadecane;molecular hydrogen;octan-1-amine;hydrate
CID 172388941
N-[(E)-7-butan-2-yl-6-methylundec-9-enoxy]methanamine
CID 174071740
O-[(E)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine
CID 20713239

Frequently Asked Questions

What is the IUPAC name of O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine?
The IUPAC name of O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine (CID 59976774) is O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine.
What is the SMILES notation for O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine?
The canonical SMILES for O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine is CCCCCCC1C=CC(CCCCCCCCONCCCC)C(/C=C\CCCCCCCCON)C1CCCCCC.
What is the InChIKey of O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine?
The InChIKey is KSFXVQNCZBZTEE-GDWJVWIDSA-N. The full InChI is InChI=1S/C40H78N2O2/c1-4-7-10-22-28-37-32-33-38(29-23-18-15-17-21-27-36-44-42-34-9-6-3)40(39(37)30-24-11-8-5-2)31-25-19-14-12-13-16-20-26-35-43-41/h25,31-33,37-40,42H,4-24,26-30,34-36,41H2,1-3H3/b31-25-.
What are the key properties of O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine?
O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine has a molecular weight of 619.08 g/mol, XLogP of 12.19, 33 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-10-[2-[8-(butylaminooxy)octyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enyl]hydroxylamine is sourced from PubChem (CID 59976774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).