O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine

C8H17NO — CID 155019939

IUPACO-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine
SMILESCCC(C)/C(C)=C(/C)ON
InChIInChI=1S/C8H17NO/c1-5-6(2)7(3)8(4)10-9/h6H,5,9H2,1-4H3/b8-7-
InChIKeyPZFJAVQSQRVTNJ-FPLPWBNLSA-N
MW143.23 g/mol
LogP2.22
Rot. Bonds3

About O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine

O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine (PubChem CID 155019939) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine
PubChem CID155019939
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameO-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine
SMILESCCC(C)/C(C)=C(/C)ON
InChIInChI=1S/C8H17NO/c1-5-6(2)7(3)8(4)10-9/h6H,5,9H2,1-4H3/b8-7-
InChIKeyPZFJAVQSQRVTNJ-FPLPWBNLSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine?
The IUPAC name of O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine (CID 155019939) is O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine.
What is the SMILES notation for O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine?
The canonical SMILES for O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine is CCC(C)/C(C)=C(/C)ON.
What is the InChIKey of O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine?
The InChIKey is PZFJAVQSQRVTNJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(2)7(3)8(4)10-9/h6H,5,9H2,1-4H3/b8-7-.
What are the key properties of O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine?
O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine has a molecular weight of 143.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine is sourced from PubChem (CID 155019939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).