2,3,6-trimethyloctan-4-ol

C11H24O — CID 115789267

IUPAC2,3,6-trimethyloctan-4-ol
SMILESCCC(C)CC(O)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-6-9(4)7-11(12)10(5)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyVMKSLFPSSMVPQP-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds5

About 2,3,6-trimethyloctan-4-ol

2,3,6-trimethyloctan-4-ol (PubChem CID 115789267) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3,6-trimethyloctan-4-ol.

Molecular Properties

Compound Name2,3,6-trimethyloctan-4-ol
PubChem CID115789267
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3,6-trimethyloctan-4-ol
SMILESCCC(C)CC(O)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-6-9(4)7-11(12)10(5)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyVMKSLFPSSMVPQP-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-2,3,5-trimethylheptane
CID 59882960
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252
3-hydroxy-2,5-dimethylheptanal
CID 87291844
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol
CID 88870745
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
2,3,5,6,8-pentamethyldecane
CID 123990465
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(2S,3R,5S)-3-ethyl-5-methylheptane-1,2-diol
CID 131854430
(4S)-2,4-dimethylhexane
CID 22810193

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyloctan-4-ol?
The IUPAC name of 2,3,6-trimethyloctan-4-ol (CID 115789267) is 2,3,6-trimethyloctan-4-ol.
What is the SMILES notation for 2,3,6-trimethyloctan-4-ol?
The canonical SMILES for 2,3,6-trimethyloctan-4-ol is CCC(C)CC(O)C(C)C(C)C.
What is the InChIKey of 2,3,6-trimethyloctan-4-ol?
The InChIKey is VMKSLFPSSMVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-9(4)7-11(12)10(5)8(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 2,3,6-trimethyloctan-4-ol?
2,3,6-trimethyloctan-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyloctan-4-ol is sourced from PubChem (CID 115789267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).