3,3-diethyl-6-methyloctan-4-ol

C13H28O — CID 156689721

IUPAC3,3-diethyl-6-methyloctan-4-ol
SMILESCCC(C)CC(O)C(CC)(CC)CC
InChIInChI=1S/C13H28O/c1-6-11(5)10-12(14)13(7-2,8-3)9-4/h11-12,14H,6-10H2,1-5H3
InChIKeyROQKVODOTPCVJM-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds7

About 3,3-diethyl-6-methyloctan-4-ol

3,3-diethyl-6-methyloctan-4-ol (PubChem CID 156689721) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,3-diethyl-6-methyloctan-4-ol.

Molecular Properties

Compound Name3,3-diethyl-6-methyloctan-4-ol
PubChem CID156689721
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3,3-diethyl-6-methyloctan-4-ol
SMILESCCC(C)CC(O)C(CC)(CC)CC
InChIInChI=1S/C13H28O/c1-6-11(5)10-12(14)13(7-2,8-3)9-4/h11-12,14H,6-10H2,1-5H3
InChIKeyROQKVODOTPCVJM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
2-ethoxy-2,5-dimethylheptan-3-ol
CID 116713772
carbonic acid;3-methylpentane-1,1-diol
CID 87689978
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(4S)-2,4-dimethylhexane
CID 22810193
1,1,1-trifluorohexane-2,4-diol;hydrochloride
CID 174612779
2,3,6-trimethyloctan-4-ol
CID 115789267
(4S)-1-hydroperoxy-2-(hydroperoxymethyl)-4-methylhexane
CID 59874861
3,3,5,7-tetramethylnonane
CID 57490983
(5S)-3-ethyl-5-methylheptane
CID 59094044

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyloctan-4-ol?
The IUPAC name of 3,3-diethyl-6-methyloctan-4-ol (CID 156689721) is 3,3-diethyl-6-methyloctan-4-ol.
What is the SMILES notation for 3,3-diethyl-6-methyloctan-4-ol?
The canonical SMILES for 3,3-diethyl-6-methyloctan-4-ol is CCC(C)CC(O)C(CC)(CC)CC.
What is the InChIKey of 3,3-diethyl-6-methyloctan-4-ol?
The InChIKey is ROQKVODOTPCVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-11(5)10-12(14)13(7-2,8-3)9-4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3,3-diethyl-6-methyloctan-4-ol?
3,3-diethyl-6-methyloctan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyloctan-4-ol is sourced from PubChem (CID 156689721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).