6-ethyl-3-methylnonane-4,6-diol

C12H26O2 — CID 87743551

IUPAC6-ethyl-3-methylnonane-4,6-diol
SMILESCCCC(O)(CC)CC(O)C(C)CC
InChIInChI=1S/C12H26O2/c1-5-8-12(14,7-3)9-11(13)10(4)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyITQRHFBPDCQLLD-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds7

About 6-ethyl-3-methylnonane-4,6-diol

6-ethyl-3-methylnonane-4,6-diol (PubChem CID 87743551) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-ethyl-3-methylnonane-4,6-diol.

Molecular Properties

Compound Name6-ethyl-3-methylnonane-4,6-diol
PubChem CID87743551
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name6-ethyl-3-methylnonane-4,6-diol
SMILESCCCC(O)(CC)CC(O)C(C)CC
InChIInChI=1S/C12H26O2/c1-5-8-12(14,7-3)9-11(13)10(4)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyITQRHFBPDCQLLD-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

4,6-diethylnonan-4-ol
CID 123321409
2-bromo-2,5-dimethylheptan-4-ol
CID 18920894
3,5-diethyloctane-1,5-diol
CID 87743708
3,8-dimethyldecane-3,7-diol
CID 87743565
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
3,5-diethylheptane-2,5-diol
CID 114496696
3,5-diethyloctane-3,6-diol
CID 87744706
3,5-diethylheptan-3-ol
CID 82929105
3-methyl-3-propylhexan-2-ol
CID 20501676
2,4-diethyloctane-1,4-diol
CID 87744704
5-ethyl-7-methylnonane-3,5-diol
CID 87744133
3,6-dimethylnonan-4-ol
CID 56626033

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methylnonane-4,6-diol?
The IUPAC name of 6-ethyl-3-methylnonane-4,6-diol (CID 87743551) is 6-ethyl-3-methylnonane-4,6-diol.
What is the SMILES notation for 6-ethyl-3-methylnonane-4,6-diol?
The canonical SMILES for 6-ethyl-3-methylnonane-4,6-diol is CCCC(O)(CC)CC(O)C(C)CC.
What is the InChIKey of 6-ethyl-3-methylnonane-4,6-diol?
The InChIKey is ITQRHFBPDCQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-8-12(14,7-3)9-11(13)10(4)6-2/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 6-ethyl-3-methylnonane-4,6-diol?
6-ethyl-3-methylnonane-4,6-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 6-ethyl-3-methylnonane-4,6-diol is sourced from PubChem (CID 87743551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).