2,2,4,9-tetramethyldecan-5-ol

C14H30O — CID 156689448

IUPAC2,2,4,9-tetramethyldecan-5-ol
SMILESCC(C)CCCC(O)C(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(2)8-7-9-13(15)12(3)10-14(4,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyPETPVUXOMVTSKA-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds6

About 2,2,4,9-tetramethyldecan-5-ol

2,2,4,9-tetramethyldecan-5-ol (PubChem CID 156689448) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,4,9-tetramethyldecan-5-ol.

Molecular Properties

Compound Name2,2,4,9-tetramethyldecan-5-ol
PubChem CID156689448
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,4,9-tetramethyldecan-5-ol
SMILESCC(C)CCCC(O)C(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(2)8-7-9-13(15)12(3)10-14(4,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyPETPVUXOMVTSKA-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,7,7-tetramethyloctan-4-ol
CID 156689724
(4R)-2,2,4,8-tetramethylnonane
CID 140612986
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
CID 103312619
(1S,4R,5S)-1-amino-5,9-dimethyldecane-1,4-diol
CID 163672470
(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
CID 118887514
2,2,4,6-tetramethylnonan-5-ol
CID 156689294
2,2,4,8,10,10-hexamethylundecane
CID 54023173
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
3-hydroxy-4,8-dimethylnonanal
CID 87291569
2,3,4,6,6-pentamethylheptan-2-ol
CID 152553280

Frequently Asked Questions

What is the IUPAC name of 2,2,4,9-tetramethyldecan-5-ol?
The IUPAC name of 2,2,4,9-tetramethyldecan-5-ol (CID 156689448) is 2,2,4,9-tetramethyldecan-5-ol.
What is the SMILES notation for 2,2,4,9-tetramethyldecan-5-ol?
The canonical SMILES for 2,2,4,9-tetramethyldecan-5-ol is CC(C)CCCC(O)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,9-tetramethyldecan-5-ol?
The InChIKey is PETPVUXOMVTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-11(2)8-7-9-13(15)12(3)10-14(4,5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 2,2,4,9-tetramethyldecan-5-ol?
2,2,4,9-tetramethyldecan-5-ol has a molecular weight of 214.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,9-tetramethyldecan-5-ol is sourced from PubChem (CID 156689448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).