7,7,9-trimethyldecane-1,3-diol

C13H28O2 — CID 57089322

IUPAC7,7,9-trimethyldecane-1,3-diol
SMILESCC(C)CC(C)(C)CCCC(O)CCO
InChIInChI=1S/C13H28O2/c1-11(2)10-13(3,4)8-5-6-12(15)7-9-14/h11-12,14-15H,5-10H2,1-4H3
InChIKeyULDQGPFPPHLLPS-UHFFFAOYSA-N
MW216.36 g/mol
LogP2.97
Rot. Bonds8

About 7,7,9-trimethyldecane-1,3-diol

7,7,9-trimethyldecane-1,3-diol (PubChem CID 57089322) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 7,7,9-trimethyldecane-1,3-diol.

Molecular Properties

Compound Name7,7,9-trimethyldecane-1,3-diol
PubChem CID57089322
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name7,7,9-trimethyldecane-1,3-diol
SMILESCC(C)CC(C)(C)CCCC(O)CCO
InChIInChI=1S/C13H28O2/c1-11(2)10-13(3,4)8-5-6-12(15)7-9-14/h11-12,14-15H,5-10H2,1-4H3
InChIKeyULDQGPFPPHLLPS-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

3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
7,7,9-trimethyldecan-5-ol
CID 139968477
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
hexane-1,2,5-triol;hexane-1,3,6-triol
CID 175569884
10,13-dimethyltetradecane-1,3,10,13-tetrol
CID 88708863
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
3,3,8-trimethyldecane-1,5-diol
CID 175265038
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
10-methoxy-2,2,10-trimethylundecane-1,6-diol
CID 88879135
2,2-dimethylpentadecane-1,8-diol
CID 59660181

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyldecane-1,3-diol?
The IUPAC name of 7,7,9-trimethyldecane-1,3-diol (CID 57089322) is 7,7,9-trimethyldecane-1,3-diol.
What is the SMILES notation for 7,7,9-trimethyldecane-1,3-diol?
The canonical SMILES for 7,7,9-trimethyldecane-1,3-diol is CC(C)CC(C)(C)CCCC(O)CCO.
What is the InChIKey of 7,7,9-trimethyldecane-1,3-diol?
The InChIKey is ULDQGPFPPHLLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-11(2)10-13(3,4)8-5-6-12(15)7-9-14/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 7,7,9-trimethyldecane-1,3-diol?
7,7,9-trimethyldecane-1,3-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 7,7,9-trimethyldecane-1,3-diol is sourced from PubChem (CID 57089322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).