2-(hydroxyamino)tetradecane-1,1-diol

C14H31NO3 — CID 175106364

IUPAC2-(hydroxyamino)tetradecane-1,1-diol
SMILESCCCCCCCCCCCCC(NO)C(O)O
InChIInChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15-18)14(16)17/h13-18H,2-12H2,1H3
InChIKeyFGQHVNVCVNMODQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.96
Rot. Bonds13

About 2-(hydroxyamino)tetradecane-1,1-diol

2-(hydroxyamino)tetradecane-1,1-diol (PubChem CID 175106364) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(hydroxyamino)tetradecane-1,1-diol.

Molecular Properties

Compound Name2-(hydroxyamino)tetradecane-1,1-diol
PubChem CID175106364
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name2-(hydroxyamino)tetradecane-1,1-diol
SMILESCCCCCCCCCCCCC(NO)C(O)O
InChIInChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15-18)14(16)17/h13-18H,2-12H2,1H3
InChIKeyFGQHVNVCVNMODQ-UHFFFAOYSA-N
XLogP2.96
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-enylamino)tetradecane-1,1-diol
CID 175295299
N-hexadecan-2-ylhydroxylamine
CID 54390562
2-ethyltetradecane-1,1-diol
CID 123855382
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)tetradecane-1,1-diol?
The IUPAC name of 2-(hydroxyamino)tetradecane-1,1-diol (CID 175106364) is 2-(hydroxyamino)tetradecane-1,1-diol.
What is the SMILES notation for 2-(hydroxyamino)tetradecane-1,1-diol?
The canonical SMILES for 2-(hydroxyamino)tetradecane-1,1-diol is CCCCCCCCCCCCC(NO)C(O)O.
What is the InChIKey of 2-(hydroxyamino)tetradecane-1,1-diol?
The InChIKey is FGQHVNVCVNMODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15-18)14(16)17/h13-18H,2-12H2,1H3.
What are the key properties of 2-(hydroxyamino)tetradecane-1,1-diol?
2-(hydroxyamino)tetradecane-1,1-diol has a molecular weight of 261.41 g/mol, XLogP of 2.96, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)tetradecane-1,1-diol is sourced from PubChem (CID 175106364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).