(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol

C13H25NO2 — CID 144711955

IUPAC(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol
SMILESC=C(O)[C@@H](CCC)CCCN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-13(12(2)15)6-4-7-14-8-10-16-11-9-14/h13,15H,2-11H2,1H3/t13-/m0/s1
InChIKeyNHQOMZRNYFNFEE-ZDUSSCGKSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds7

About (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol

(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol (PubChem CID 144711955) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol.

Molecular Properties

Compound Name(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol
PubChem CID144711955
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol
SMILESC=C(O)[C@@H](CCC)CCCN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-13(12(2)15)6-4-7-14-8-10-16-11-9-14/h13,15H,2-11H2,1H3/t13-/m0/s1
InChIKeyNHQOMZRNYFNFEE-ZDUSSCGKSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol?
The IUPAC name of (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol (CID 144711955) is (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol.
What is the SMILES notation for (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol?
The canonical SMILES for (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol is C=C(O)[C@@H](CCC)CCCN1CCOCC1.
What is the InChIKey of (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol?
The InChIKey is NHQOMZRNYFNFEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-13(12(2)15)6-4-7-14-8-10-16-11-9-14/h13,15H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol?
(3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol has a molecular weight of 227.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-morpholin-4-yl-3-propylhex-1-en-2-ol is sourced from PubChem (CID 144711955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).