5-ethyl-7-methylnonane-3,5-diol

C12H26O2 — CID 87744133

IUPAC5-ethyl-7-methylnonane-3,5-diol
SMILESCCC(C)CC(O)(CC)CC(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(4)8-12(14,7-3)9-11(13)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyWRIMHGIDENWRKS-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds7

About 5-ethyl-7-methylnonane-3,5-diol

5-ethyl-7-methylnonane-3,5-diol (PubChem CID 87744133) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-ethyl-7-methylnonane-3,5-diol.

Molecular Properties

Compound Name5-ethyl-7-methylnonane-3,5-diol
PubChem CID87744133
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name5-ethyl-7-methylnonane-3,5-diol
SMILESCCC(C)CC(O)(CC)CC(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(4)8-12(14,7-3)9-11(13)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyWRIMHGIDENWRKS-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pentane-1,1,1,3-tetrol
CID 176711420
3-fluoro-3,5-dimethylheptane
CID 123257807
3,5-diethylheptane-2,5-diol
CID 114496696
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
CID 54376385
3,5-diethylheptan-3-ol
CID 82929105
1,1,1-trifluoro-3-methylpentane
CID 21020397
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
3-ethyl-5-methylhept-1-yn-3-ol
CID 557731
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
4,4,6-trimethyloctan-2-ol
CID 64717881
5,5,7,7-tetramethylnonan-3-ol
CID 91489156

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methylnonane-3,5-diol?
The IUPAC name of 5-ethyl-7-methylnonane-3,5-diol (CID 87744133) is 5-ethyl-7-methylnonane-3,5-diol.
What is the SMILES notation for 5-ethyl-7-methylnonane-3,5-diol?
The canonical SMILES for 5-ethyl-7-methylnonane-3,5-diol is CCC(C)CC(O)(CC)CC(O)CC.
What is the InChIKey of 5-ethyl-7-methylnonane-3,5-diol?
The InChIKey is WRIMHGIDENWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-10(4)8-12(14,7-3)9-11(13)6-2/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-7-methylnonane-3,5-diol?
5-ethyl-7-methylnonane-3,5-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methylnonane-3,5-diol is sourced from PubChem (CID 87744133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).