3-ethyl-4-methyloctan-3-ol

C11H24O — CID 122367202

IUPAC3-ethyl-4-methyloctan-3-ol
SMILESCCCCC(C)C(O)(CC)CC
InChIInChI=1S/C11H24O/c1-5-8-9-10(4)11(12,6-2)7-3/h10,12H,5-9H2,1-4H3
InChIKeyZIAZKPKRBUPOQC-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds6

About 3-ethyl-4-methyloctan-3-ol

3-ethyl-4-methyloctan-3-ol (PubChem CID 122367202) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethyl-4-methyloctan-3-ol.

Molecular Properties

Compound Name3-ethyl-4-methyloctan-3-ol
PubChem CID122367202
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethyl-4-methyloctan-3-ol
SMILESCCCCC(C)C(O)(CC)CC
InChIInChI=1S/C11H24O/c1-5-8-9-10(4)11(12,6-2)7-3/h10,12H,5-9H2,1-4H3
InChIKeyZIAZKPKRBUPOQC-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
p-MENTHAN-8-OL
CID 10353
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
p-Menthan-1-ol
CID 89437
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
2,4-Dimethyl-4-nonanol
CID 3018500
3-Methyl-3-octanol
CID 21432
p-Menthan-4-ol
CID 574674

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyloctan-3-ol?
The IUPAC name of 3-ethyl-4-methyloctan-3-ol (CID 122367202) is 3-ethyl-4-methyloctan-3-ol.
What is the SMILES notation for 3-ethyl-4-methyloctan-3-ol?
The canonical SMILES for 3-ethyl-4-methyloctan-3-ol is CCCCC(C)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-4-methyloctan-3-ol?
The InChIKey is ZIAZKPKRBUPOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-8-9-10(4)11(12,6-2)7-3/h10,12H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-4-methyloctan-3-ol?
3-ethyl-4-methyloctan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyloctan-3-ol is sourced from PubChem (CID 122367202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).