(2R)-1-azido-2-methylheptan-2-ol

C8H17N3O — CID 10920967

IUPAC(2R)-1-azido-2-methylheptan-2-ol
SMILESCCCCC[C@@](C)(O)CN=[N+]=[N-]
InChIInChI=1S/C8H17N3O/c1-3-4-5-6-8(2,12)7-10-11-9/h12H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZTUGVNWNKHRZAX-MRVPVSSYSA-N
MW171.24 g/mol
LogP2.63
Rot. Bonds6

About (2R)-1-azido-2-methylheptan-2-ol

(2R)-1-azido-2-methylheptan-2-ol (PubChem CID 10920967) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-1-azido-2-methylheptan-2-ol.

Molecular Properties

Compound Name(2R)-1-azido-2-methylheptan-2-ol
PubChem CID10920967
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2R)-1-azido-2-methylheptan-2-ol
SMILESCCCCC[C@@](C)(O)CN=[N+]=[N-]
InChIInChI=1S/C8H17N3O/c1-3-4-5-6-8(2,12)7-10-11-9/h12H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZTUGVNWNKHRZAX-MRVPVSSYSA-N
XLogP2.63
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-azido-2-methylheptan-2-ol?
The IUPAC name of (2R)-1-azido-2-methylheptan-2-ol (CID 10920967) is (2R)-1-azido-2-methylheptan-2-ol.
What is the SMILES notation for (2R)-1-azido-2-methylheptan-2-ol?
The canonical SMILES for (2R)-1-azido-2-methylheptan-2-ol is CCCCC[C@@](C)(O)CN=[N+]=[N-].
What is the InChIKey of (2R)-1-azido-2-methylheptan-2-ol?
The InChIKey is ZTUGVNWNKHRZAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-4-5-6-8(2,12)7-10-11-9/h12H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-azido-2-methylheptan-2-ol?
(2R)-1-azido-2-methylheptan-2-ol has a molecular weight of 171.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-azido-2-methylheptan-2-ol is sourced from PubChem (CID 10920967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).