4,5,5,7-tetramethyl-4-propylnonane-1,7-diol

C16H34O2 — CID 89090249

IUPAC4,5,5,7-tetramethyl-4-propylnonane-1,7-diol
SMILESCCCC(C)(CCCO)C(C)(C)CC(C)(O)CC
InChIInChI=1S/C16H34O2/c1-7-10-15(5,11-9-12-17)14(3,4)13-16(6,18)8-2/h17-18H,7-13H2,1-6H3
InChIKeyJKQZHTYNMDASHX-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.14
Rot. Bonds9

About 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol

4,5,5,7-tetramethyl-4-propylnonane-1,7-diol (PubChem CID 89090249) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol.

Molecular Properties

Compound Name4,5,5,7-tetramethyl-4-propylnonane-1,7-diol
PubChem CID89090249
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name4,5,5,7-tetramethyl-4-propylnonane-1,7-diol
SMILESCCCC(C)(CCCO)C(C)(C)CC(C)(O)CC
InChIInChI=1S/C16H34O2/c1-7-10-15(5,11-9-12-17)14(3,4)13-16(6,18)8-2/h17-18H,7-13H2,1-6H3
InChIKeyJKQZHTYNMDASHX-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol
CID 91870578
3,5,5-trimethyloctan-3-ol
CID 123781250
5-ethylnonane-1,5-diol
CID 87121663
octane-1,5,5-triol
CID 173445302
4,4,5-trimethylhexane-1,5-diol
CID 161320842
sodium;hydride;3-methylhexan-3-ol
CID 175384887
12-propylpentadecane-1,12-diol
CID 146590856
2-methyl-2-propylpentane-1,5-diol
CID 18956838
8,10-dimethylundecane-1,8,10-triol
CID 90439764
butane;butane-1,4-diol
CID 160786697
tris(butan-1-ol);2-methylpropan-2-ol;titanium
CID 87900186
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912

Frequently Asked Questions

What is the IUPAC name of 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol?
The IUPAC name of 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol (CID 89090249) is 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol.
What is the SMILES notation for 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol?
The canonical SMILES for 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol is CCCC(C)(CCCO)C(C)(C)CC(C)(O)CC.
What is the InChIKey of 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol?
The InChIKey is JKQZHTYNMDASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-10-15(5,11-9-12-17)14(3,4)13-16(6,18)8-2/h17-18H,7-13H2,1-6H3.
What are the key properties of 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol?
4,5,5,7-tetramethyl-4-propylnonane-1,7-diol has a molecular weight of 258.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,7-tetramethyl-4-propylnonane-1,7-diol is sourced from PubChem (CID 89090249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).