2,2,5,5-tetraethylheptan-1-ol

C15H32O — CID 20826079

IUPAC2,2,5,5-tetraethylheptan-1-ol
SMILESCCC(CC)(CC)CCC(CC)(CC)CO
InChIInChI=1S/C15H32O/c1-6-14(7-2,8-3)11-12-15(9-4,10-5)13-16/h16H,6-13H2,1-5H3
InChIKeyPJWTVXIKAWTRSU-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds9

About 2,2,5,5-tetraethylheptan-1-ol

2,2,5,5-tetraethylheptan-1-ol (PubChem CID 20826079) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2,2,5,5-tetraethylheptan-1-ol.

Molecular Properties

Compound Name2,2,5,5-tetraethylheptan-1-ol
PubChem CID20826079
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2,2,5,5-tetraethylheptan-1-ol
SMILESCCC(CC)(CC)CCC(CC)(CC)CO
InChIInChI=1S/C15H32O/c1-6-14(7-2,8-3)11-12-15(9-4,10-5)13-16/h16H,6-13H2,1-5H3
InChIKeyPJWTVXIKAWTRSU-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,5,5-tetraethylheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
CID 87987203
CID 87987203
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
azetidine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydrate
CID 174848881
2-ethyl-2-(hydroxymethyl)pentane-1,5-diol;hydrate
CID 174549164

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetraethylheptan-1-ol?
The IUPAC name of 2,2,5,5-tetraethylheptan-1-ol (CID 20826079) is 2,2,5,5-tetraethylheptan-1-ol.
What is the SMILES notation for 2,2,5,5-tetraethylheptan-1-ol?
The canonical SMILES for 2,2,5,5-tetraethylheptan-1-ol is CCC(CC)(CC)CCC(CC)(CC)CO.
What is the InChIKey of 2,2,5,5-tetraethylheptan-1-ol?
The InChIKey is PJWTVXIKAWTRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-6-14(7-2,8-3)11-12-15(9-4,10-5)13-16/h16H,6-13H2,1-5H3.
What are the key properties of 2,2,5,5-tetraethylheptan-1-ol?
2,2,5,5-tetraethylheptan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetraethylheptan-1-ol is sourced from PubChem (CID 20826079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).