4-prop-2-ynyl-1,4-oxazepan-6-ol

C8H13NO2 — CID 130961392

IUPAC4-prop-2-ynyl-1,4-oxazepan-6-ol
SMILESC#CCN1CCOCC(O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-9-4-5-11-7-8(10)6-9/h1,8,10H,3-7H2
InChIKeyYMLYTRJBOZHINS-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.69
Rot. Bonds1

About 4-prop-2-ynyl-1,4-oxazepan-6-ol

4-prop-2-ynyl-1,4-oxazepan-6-ol (PubChem CID 130961392) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-prop-2-ynyl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-prop-2-ynyl-1,4-oxazepan-6-ol
PubChem CID130961392
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-prop-2-ynyl-1,4-oxazepan-6-ol
SMILESC#CCN1CCOCC(O)C1
InChIInChI=1S/C8H13NO2/c1-2-3-9-4-5-11-7-8(10)6-9/h1,8,10H,3-7H2
InChIKeyYMLYTRJBOZHINS-UHFFFAOYSA-N
XLogP-0.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-prop-2-ynylmorpholine
CID 144709407
1-(6-hydroxy-1,4-oxazepan-4-yl)butan-2-one
CID 130942762
(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
3,12-bis(prop-2-ynyl)-1,6,9,15-tetraoxa-3,12-diazacyclooctadecane
CID 101268758
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
CID 162798872
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
CID 138728331

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynyl-1,4-oxazepan-6-ol?
The IUPAC name of 4-prop-2-ynyl-1,4-oxazepan-6-ol (CID 130961392) is 4-prop-2-ynyl-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-prop-2-ynyl-1,4-oxazepan-6-ol?
The canonical SMILES for 4-prop-2-ynyl-1,4-oxazepan-6-ol is C#CCN1CCOCC(O)C1.
What is the InChIKey of 4-prop-2-ynyl-1,4-oxazepan-6-ol?
The InChIKey is YMLYTRJBOZHINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-9-4-5-11-7-8(10)6-9/h1,8,10H,3-7H2.
What are the key properties of 4-prop-2-ynyl-1,4-oxazepan-6-ol?
4-prop-2-ynyl-1,4-oxazepan-6-ol has a molecular weight of 155.20 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynyl-1,4-oxazepan-6-ol is sourced from PubChem (CID 130961392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).