3,3,8-trimethyldecane-1,5-diol

C13H28O2 — CID 175265038

IUPAC3,3,8-trimethyldecane-1,5-diol
SMILESCCC(C)CCC(O)CC(C)(C)CCO
InChIInChI=1S/C13H28O2/c1-5-11(2)6-7-12(15)10-13(3,4)8-9-14/h11-12,14-15H,5-10H2,1-4H3
InChIKeyNGCPVGQAXVBMOD-UHFFFAOYSA-N
MW216.36 g/mol
LogP2.97
Rot. Bonds8

About 3,3,8-trimethyldecane-1,5-diol

3,3,8-trimethyldecane-1,5-diol (PubChem CID 175265038) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,3,8-trimethyldecane-1,5-diol.

Molecular Properties

Compound Name3,3,8-trimethyldecane-1,5-diol
PubChem CID175265038
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,3,8-trimethyldecane-1,5-diol
SMILESCCC(C)CCC(O)CC(C)(C)CCO
InChIInChI=1S/C13H28O2/c1-5-11(2)6-7-12(15)10-13(3,4)8-9-14/h11-12,14-15H,5-10H2,1-4H3
InChIKeyNGCPVGQAXVBMOD-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
3,5,5,8-tetramethyldecane
CID 57491683
1-amino-5-methylheptan-2-ol
CID 54546021
3,6,6,8-tetramethylundecane
CID 90718379
2,2,4-trimethylhexan-1-ol
CID 14747424
4,7-dimethylnonan-1-ol
CID 87272409
2,2,6-trimethyloctane
CID 522006
7,7,9-trimethyldecane-1,3-diol
CID 57089322
1-[3-hydroxypropyl-(2-hydroxy-4,4,6-trimethyloctyl)amino]-4,4,6-trimethyloctan-2-ol
CID 123822047
4,4,6-trimethyloctan-2-ol
CID 64717881
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228
3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyldecane-1,5-diol?
The IUPAC name of 3,3,8-trimethyldecane-1,5-diol (CID 175265038) is 3,3,8-trimethyldecane-1,5-diol.
What is the SMILES notation for 3,3,8-trimethyldecane-1,5-diol?
The canonical SMILES for 3,3,8-trimethyldecane-1,5-diol is CCC(C)CCC(O)CC(C)(C)CCO.
What is the InChIKey of 3,3,8-trimethyldecane-1,5-diol?
The InChIKey is NGCPVGQAXVBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-11(2)6-7-12(15)10-13(3,4)8-9-14/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 3,3,8-trimethyldecane-1,5-diol?
3,3,8-trimethyldecane-1,5-diol has a molecular weight of 216.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyldecane-1,5-diol is sourced from PubChem (CID 175265038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).