3-ethylnon-7-en-3-ol

C11H22O — CID 150588802

IUPAC3-ethylnon-7-en-3-ol
SMILESCC=CCCCC(O)(CC)CC
InChIInChI=1S/C11H22O/c1-4-7-8-9-10-11(12,5-2)6-3/h4,7,12H,5-6,8-10H2,1-3H3
InChIKeyIPKNPGRSDFVYLP-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds6

About 3-ethylnon-7-en-3-ol

3-ethylnon-7-en-3-ol (PubChem CID 150588802) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-ethylnon-7-en-3-ol.

Molecular Properties

Compound Name3-ethylnon-7-en-3-ol
PubChem CID150588802
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-ethylnon-7-en-3-ol
SMILESCC=CCCCC(O)(CC)CC
InChIInChI=1S/C11H22O/c1-4-7-8-9-10-11(12,5-2)6-3/h4,7,12H,5-6,8-10H2,1-3H3
InChIKeyIPKNPGRSDFVYLP-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyldec-8-en-2-ol
CID 173164582
(Z)-dodec-2-ene;propan-2-one
CID 175013676
hept-2-ene;methanol
CID 135236025
8,8-dimethylundec-2-ene
CID 123615624
non-7-en-3-one
CID 56994302
(Z)-oct-2-ene
CID 5356796
7,7,8-trimethylnon-2-ene
CID 54129558
4-ethyl-4-hydroxyhexanoic acid
CID 18462839
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
5-ethyl-5-hydroxyheptan-2-one
CID 114494669
(E)-hept-5-enamide
CID 18415105
4-ethylhexane-1,4-diol;prop-2-enoic acid
CID 159668445

Frequently Asked Questions

What is the IUPAC name of 3-ethylnon-7-en-3-ol?
The IUPAC name of 3-ethylnon-7-en-3-ol (CID 150588802) is 3-ethylnon-7-en-3-ol.
What is the SMILES notation for 3-ethylnon-7-en-3-ol?
The canonical SMILES for 3-ethylnon-7-en-3-ol is CC=CCCCC(O)(CC)CC.
What is the InChIKey of 3-ethylnon-7-en-3-ol?
The InChIKey is IPKNPGRSDFVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-7-8-9-10-11(12,5-2)6-3/h4,7,12H,5-6,8-10H2,1-3H3.
What are the key properties of 3-ethylnon-7-en-3-ol?
3-ethylnon-7-en-3-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnon-7-en-3-ol is sourced from PubChem (CID 150588802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).