O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine

C19H31NO2 — CID 174312953

IUPACO-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine
SMILESC/C(=C/[C@@H](CCCCCOc1ccc(C)cc1)C(C)C)ON
InChIInChI=1S/C19H31NO2/c1-15(2)18(14-17(4)22-20)8-6-5-7-13-21-19-11-9-16(3)10-12-19/h9-12,14-15,18H,5-8,13,20H2,1-4H3/b17-14-/t18-/m1/s1
InChIKeyRDHPVLOUORJMSO-HGLWPWQMSA-N
MW305.46 g/mol
LogP5.00
Rot. Bonds10

About O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine

O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine (PubChem CID 174312953) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine
PubChem CID174312953
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameO-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine
SMILESC/C(=C/[C@@H](CCCCCOc1ccc(C)cc1)C(C)C)ON
InChIInChI=1S/C19H31NO2/c1-15(2)18(14-17(4)22-20)8-6-5-7-13-21-19-11-9-16(3)10-12-19/h9-12,14-15,18H,5-8,13,20H2,1-4H3/b17-14-/t18-/m1/s1
InChIKeyRDHPVLOUORJMSO-HGLWPWQMSA-N
XLogP5.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenoxy)pentane-2-thiol
CID 57005602
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
2-methyl-6-(4-methylphenoxy)hexane-1-sulfonic acid
CID 142364160
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
5-[4-[(2-amino-3-methylbutanoyl)oxy-(4-methylphenyl)methyl]phenoxy]pentyl-trimethylazanium
CID 59582362
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
6-(4-methylphenoxy)hexyl formate
CID 143732521

Frequently Asked Questions

What is the IUPAC name of O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine?
The IUPAC name of O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine (CID 174312953) is O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine.
What is the SMILES notation for O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine?
The canonical SMILES for O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine is C/C(=C/[C@@H](CCCCCOc1ccc(C)cc1)C(C)C)ON.
What is the InChIKey of O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine?
The InChIKey is RDHPVLOUORJMSO-HGLWPWQMSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)18(14-17(4)22-20)8-6-5-7-13-21-19-11-9-16(3)10-12-19/h9-12,14-15,18H,5-8,13,20H2,1-4H3/b17-14-/t18-/m1/s1.
What are the key properties of O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine?
O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine has a molecular weight of 305.46 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z,4S)-9-(4-methylphenoxy)-4-propan-2-ylnon-2-en-2-yl]hydroxylamine is sourced from PubChem (CID 174312953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).