(6R,9R)-3,9-diethyltridecan-6-ol

C17H36O — CID 86308442

IUPAC(6R,9R)-3,9-diethyltridecan-6-ol
SMILESCCCC[C@@H](CC)CC[C@H](O)CCC(CC)CC
InChIInChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3/t16-,17-/m1/s1
InChIKeyNWDHHLKROQOLMQ-IAGOWNOFSA-N
MW256.47 g/mol
LogP5.56
Rot. Bonds12

About (6R,9R)-3,9-diethyltridecan-6-ol

(6R,9R)-3,9-diethyltridecan-6-ol (PubChem CID 86308442) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is (6R,9R)-3,9-diethyltridecan-6-ol.

Molecular Properties

Compound Name(6R,9R)-3,9-diethyltridecan-6-ol
PubChem CID86308442
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name(6R,9R)-3,9-diethyltridecan-6-ol
SMILESCCCC[C@@H](CC)CC[C@H](O)CCC(CC)CC
InChIInChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3/t16-,17-/m1/s1
InChIKeyNWDHHLKROQOLMQ-IAGOWNOFSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,6-diethylundecane
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7-ethyl-2-methyldodecan-4-ol
CID 171564250
6-(methylaminomethyl)decane-1,3-diol
CID 163994481
5-ethylnonane;5-propylnonane
CID 157441807
CID 172776718
CID 172776718
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
5,8,10-triethylpentadecane
CID 123791231
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
6-ethyl-2,3-dimethyldecane
CID 57491764
2-aminononan-5-ol
CID 123577589

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-3,9-diethyltridecan-6-ol?
The IUPAC name of (6R,9R)-3,9-diethyltridecan-6-ol (CID 86308442) is (6R,9R)-3,9-diethyltridecan-6-ol.
What is the SMILES notation for (6R,9R)-3,9-diethyltridecan-6-ol?
The canonical SMILES for (6R,9R)-3,9-diethyltridecan-6-ol is CCCC[C@@H](CC)CC[C@H](O)CCC(CC)CC.
What is the InChIKey of (6R,9R)-3,9-diethyltridecan-6-ol?
The InChIKey is NWDHHLKROQOLMQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (6R,9R)-3,9-diethyltridecan-6-ol?
(6R,9R)-3,9-diethyltridecan-6-ol has a molecular weight of 256.47 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-3,9-diethyltridecan-6-ol is sourced from PubChem (CID 86308442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).