(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol

C12H24O — CID 89149802

IUPAC(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)C(CC)CC
InChIInChI=1S/C12H24O/c1-5-8-9-10(4)12(13)11(6-2)7-3/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+/t10-,12-/m1/s1
InChIKeyQWEIRPUEVVRBJB-GINUYBFQSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds6

About (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol

(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol (PubChem CID 89149802) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol.

Molecular Properties

Compound Name(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
PubChem CID89149802
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)C(CC)CC
InChIInChI=1S/C12H24O/c1-5-8-9-10(4)12(13)11(6-2)7-3/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+/t10-,12-/m1/s1
InChIKeyQWEIRPUEVVRBJB-GINUYBFQSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-3-ethylhept-5-en-2-ol
CID 89085981
5-ethyl-6-methylhept-2-ene
CID 54081587
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
CID 163757336
2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
CID 3371803
(E,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
CID 5289446
(E)-5-methylhept-2-ene
CID 5364849
acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
CID 143066011
(Z,3S,5R)-3-ethyl-4,5-dimethylnon-7-en-2-one
CID 90350771
(E)-2-methylhept-5-en-3-ol
CID 12592438
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol?
The IUPAC name of (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol (CID 89149802) is (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol.
What is the SMILES notation for (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol?
The canonical SMILES for (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol is C/C=C/C[C@@H](C)[C@@H](O)C(CC)CC.
What is the InChIKey of (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol?
The InChIKey is QWEIRPUEVVRBJB-GINUYBFQSA-N. The full InChI is InChI=1S/C12H24O/c1-5-8-9-10(4)12(13)11(6-2)7-3/h5,8,10-13H,6-7,9H2,1-4H3/b8-5+/t10-,12-/m1/s1.
What are the key properties of (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol?
(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol is sourced from PubChem (CID 89149802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).