3,3-diethylhexane;2,2-diethylpentan-1-ol

C19H42O — CID 159667667

IUPAC3,3-diethylhexane;2,2-diethylpentan-1-ol
SMILESCCCC(CC)(CC)CC.CCCC(CC)(CC)CO
InChIInChI=1S/C10H22.C9H20O/c1-5-9-10(6-2,7-3)8-4;1-4-7-9(5-2,6-3)8-10/h5-9H2,1-4H3;10H,4-8H2,1-3H3
InChIKeyMTPRKRWXSBKGHR-UHFFFAOYSA-N
MW286.54 g/mol
LogP6.59
Rot. Bonds10

About 3,3-diethylhexane;2,2-diethylpentan-1-ol

3,3-diethylhexane;2,2-diethylpentan-1-ol (PubChem CID 159667667) has the molecular formula C19H42O and a molecular weight of 286.54 g/mol. Its IUPAC name is 3,3-diethylhexane;2,2-diethylpentan-1-ol.

Molecular Properties

Compound Name3,3-diethylhexane;2,2-diethylpentan-1-ol
PubChem CID159667667
Molecular FormulaC19H42O
Molecular Weight286.54 g/mol
Exact Mass286.32
IUPAC Name3,3-diethylhexane;2,2-diethylpentan-1-ol
SMILESCCCC(CC)(CC)CC.CCCC(CC)(CC)CO
InChIInChI=1S/C10H22.C9H20O/c1-5-9-10(6-2,7-3)8-4;1-4-7-9(5-2,6-3)8-10/h5-9H2,1-4H3;10H,4-8H2,1-3H3
InChIKeyMTPRKRWXSBKGHR-UHFFFAOYSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.54
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20826079
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-bis(sulfanylmethyl)pentan-1-ol
CID 19373302
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-ethyl-2-(2-methyliminoethyl)pentan-1-ol
CID 163575791
2-ethyl-4-fluoro-2-propylhexan-1-ol
CID 168880821
2-pentyl-2-propylpropane-1,3-diol
CID 18188395

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylhexane;2,2-diethylpentan-1-ol?
The IUPAC name of 3,3-diethylhexane;2,2-diethylpentan-1-ol (CID 159667667) is 3,3-diethylhexane;2,2-diethylpentan-1-ol.
What is the SMILES notation for 3,3-diethylhexane;2,2-diethylpentan-1-ol?
The canonical SMILES for 3,3-diethylhexane;2,2-diethylpentan-1-ol is CCCC(CC)(CC)CC.CCCC(CC)(CC)CO.
What is the InChIKey of 3,3-diethylhexane;2,2-diethylpentan-1-ol?
The InChIKey is MTPRKRWXSBKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H20O/c1-5-9-10(6-2,7-3)8-4;1-4-7-9(5-2,6-3)8-10/h5-9H2,1-4H3;10H,4-8H2,1-3H3.
What are the key properties of 3,3-diethylhexane;2,2-diethylpentan-1-ol?
3,3-diethylhexane;2,2-diethylpentan-1-ol has a molecular weight of 286.54 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylhexane;2,2-diethylpentan-1-ol is sourced from PubChem (CID 159667667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).