(2R)-5-azido-2-ethylpentan-1-ol

C7H15N3O — CID 134846588

IUPAC(2R)-5-azido-2-ethylpentan-1-ol
SMILESCC[C@@H](CO)CCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O/c1-2-7(6-11)4-3-5-9-10-8/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyVSYQEQJSXOLCKQ-SSDOTTSWSA-N
MW157.22 g/mol
LogP2.10
Rot. Bonds6

About (2R)-5-azido-2-ethylpentan-1-ol

(2R)-5-azido-2-ethylpentan-1-ol (PubChem CID 134846588) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (2R)-5-azido-2-ethylpentan-1-ol.

Molecular Properties

Compound Name(2R)-5-azido-2-ethylpentan-1-ol
PubChem CID134846588
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(2R)-5-azido-2-ethylpentan-1-ol
SMILESCC[C@@H](CO)CCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O/c1-2-7(6-11)4-3-5-9-10-8/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyVSYQEQJSXOLCKQ-SSDOTTSWSA-N
XLogP2.10
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-azidopentane-1,2-diol
CID 22854627
2-[4-(hydroxymethyl)hexyl]guanidine
CID 88928273
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
1-azido-4-methylpentane
CID 58070777
2-ethylhexan-1-ol;iron
CID 22477032
1,4-diazidopentane
CID 10820774
CID 159249113
CID 159249113
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
2-ethyldodecan-1-ol
CID 545553
(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid
CID 158383800
(4S)-1-azido-4-fluoropentane
CID 134547070

Frequently Asked Questions

What is the IUPAC name of (2R)-5-azido-2-ethylpentan-1-ol?
The IUPAC name of (2R)-5-azido-2-ethylpentan-1-ol (CID 134846588) is (2R)-5-azido-2-ethylpentan-1-ol.
What is the SMILES notation for (2R)-5-azido-2-ethylpentan-1-ol?
The canonical SMILES for (2R)-5-azido-2-ethylpentan-1-ol is CC[C@@H](CO)CCCN=[N+]=[N-].
What is the InChIKey of (2R)-5-azido-2-ethylpentan-1-ol?
The InChIKey is VSYQEQJSXOLCKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-7(6-11)4-3-5-9-10-8/h7,11H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-5-azido-2-ethylpentan-1-ol?
(2R)-5-azido-2-ethylpentan-1-ol has a molecular weight of 157.22 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-azido-2-ethylpentan-1-ol is sourced from PubChem (CID 134846588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).