6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol

C9H15N3O4 — CID 20651714

IUPAC6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
SMILESCOCOC1C=C(CO)CC(N=[N+]=[N-])C1O
InChIInChI=1S/C9H15N3O4/c1-15-5-16-8-3-6(4-13)2-7(9(8)14)11-12-10/h3,7-9,13-14H,2,4-5H2,1H3
InChIKeyQCPDYDQAUNKCPR-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.34
Rot. Bonds5

About 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol

6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol (PubChem CID 20651714) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
PubChem CID20651714
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
SMILESCOCOC1C=C(CO)CC(N=[N+]=[N-])C1O
InChIInChI=1S/C9H15N3O4/c1-15-5-16-8-3-6(4-13)2-7(9(8)14)11-12-10/h3,7-9,13-14H,2,4-5H2,1H3
InChIKeyQCPDYDQAUNKCPR-UHFFFAOYSA-N
XLogP0.34
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,6R)-6-azido-2-(methoxymethoxy)cyclohex-3-en-1-ol
CID 52912530
6-Azido-2-(methoxymethoxy)-4-methylcyclohex-3-en-1-ol
CID 53722443
(1S,2R,6R)-6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol
CID 60027114
(1S,2R,3R,6S)-6-azido-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclohex-4-ene-1,2-diol
CID 10779773

Frequently Asked Questions

What is the IUPAC name of 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol?
The IUPAC name of 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol (CID 20651714) is 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol.
What is the SMILES notation for 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol?
The canonical SMILES for 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol is COCOC1C=C(CO)CC(N=[N+]=[N-])C1O.
What is the InChIKey of 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol?
The InChIKey is QCPDYDQAUNKCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-15-5-16-8-3-6(4-13)2-7(9(8)14)11-12-10/h3,7-9,13-14H,2,4-5H2,1H3.
What are the key properties of 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol?
6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol has a molecular weight of 229.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-4-(hydroxymethyl)-2-(methoxymethoxy)cyclohex-3-en-1-ol is sourced from PubChem (CID 20651714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).