(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one

C21H38O5 — CID 71407763

IUPAC(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
SMILESC[C@H](CCCC(=O)CCCCCOC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C21H38O5/c1-18(26-21-14-5-8-17-25-21)10-9-12-19(22)11-3-2-6-15-23-20-13-4-7-16-24-20/h18,20-21H,2-17H2,1H3/t18-,20?,21?/m1/s1
InChIKeyAEVBOEHQMFJIJV-KMFTYDHNSA-N
MW370.53 g/mol
LogP4.76
Rot. Bonds13

About (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one

(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one (PubChem CID 71407763) has the molecular formula C21H38O5 and a molecular weight of 370.53 g/mol. Its IUPAC name is (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one.

Molecular Properties

Compound Name(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
PubChem CID71407763
Molecular FormulaC21H38O5
Molecular Weight370.53 g/mol
Exact Mass370.27
IUPAC Name(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
SMILESC[C@H](CCCC(=O)CCCCCOC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C21H38O5/c1-18(26-21-14-5-8-17-25-21)10-9-12-19(22)11-3-2-6-15-23-20-13-4-7-16-24-20/h18,20-21H,2-17H2,1H3/t18-,20?,21?/m1/s1
InChIKeyAEVBOEHQMFJIJV-KMFTYDHNSA-N
XLogP4.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,12-bis(oxan-2-yloxy)dodec-10-en-6-one
CID 102126737
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
CID 70606312
2-(6-methylheptoxy)oxane
CID 139685112
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
1-diethoxyphosphoryl-9-(oxan-2-yloxy)nonan-2-one
CID 121355402
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810

Frequently Asked Questions

What is the IUPAC name of (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one?
The IUPAC name of (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one (CID 71407763) is (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one.
What is the SMILES notation for (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one?
The canonical SMILES for (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one is C[C@H](CCCC(=O)CCCCCOC1CCCCO1)OC1CCCCO1.
What is the InChIKey of (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one?
The InChIKey is AEVBOEHQMFJIJV-KMFTYDHNSA-N. The full InChI is InChI=1S/C21H38O5/c1-18(26-21-14-5-8-17-25-21)10-9-12-19(22)11-3-2-6-15-23-20-13-4-7-16-24-20/h18,20-21H,2-17H2,1H3/t18-,20?,21?/m1/s1.
What are the key properties of (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one?
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one has a molecular weight of 370.53 g/mol, XLogP of 4.76, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-1,10-bis(oxan-2-yloxy)undecan-6-one is sourced from PubChem (CID 71407763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).