(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol

C16H30O3 — CID 11832481

IUPAC(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
SMILESC=CC(O)C[C@@H](CCCCCC)OC1CCCCO1
InChIInChI=1S/C16H30O3/c1-3-5-6-7-10-15(13-14(17)4-2)19-16-11-8-9-12-18-16/h4,14-17H,2-3,5-13H2,1H3/t14?,15-,16?/m1/s1
InChIKeyQRUNRWQXFHUTTH-HWOWSKLDSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds10

About (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol

(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol (PubChem CID 11832481) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol.

Molecular Properties

Compound Name(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
PubChem CID11832481
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
SMILESC=CC(O)C[C@@H](CCCCCC)OC1CCCCO1
InChIInChI=1S/C16H30O3/c1-3-5-6-7-10-15(13-14(17)4-2)19-16-11-8-9-12-18-16/h4,14-17H,2-3,5-13H2,1H3/t14?,15-,16?/m1/s1
InChIKeyQRUNRWQXFHUTTH-HWOWSKLDSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid
CID 14852585
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxyhexadecanoic acid
CID 18639601
2-oct-1-en-3-yloxyoxane
CID 10727282
3-hydroxy-2-methyl-5-(oxan-2-yloxy)hexadecanoic acid
CID 19794768
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
2-hept-1-en-3-yloxyoxane
CID 20796050
2-[3-[(2R)-oxan-2-yl]oxyheptanoyl]dodecanoic acid
CID 54308956
(5R)-2-ethyl-3-hydroxy-5-(oxan-2-yloxy)docos-2-enoic acid
CID 67855716
methyl (Z)-12-(oxan-2-yloxy)octadec-9-enoate
CID 10992948
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol?
The IUPAC name of (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol (CID 11832481) is (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol.
What is the SMILES notation for (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol?
The canonical SMILES for (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol is C=CC(O)C[C@@H](CCCCCC)OC1CCCCO1.
What is the InChIKey of (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol?
The InChIKey is QRUNRWQXFHUTTH-HWOWSKLDSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-5-6-7-10-15(13-14(17)4-2)19-16-11-8-9-12-18-16/h4,14-17H,2-3,5-13H2,1H3/t14?,15-,16?/m1/s1.
What are the key properties of (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol?
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol has a molecular weight of 270.41 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(oxan-2-yloxy)undec-1-en-3-ol is sourced from PubChem (CID 11832481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).