2-ethyl-3-hydroxyhexanenitrile

C8H15NO — CID 79132579

IUPAC2-ethyl-3-hydroxyhexanenitrile
SMILESCCCC(O)C(C#N)CC
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-5H2,1-2H3
InChIKeyDZFXAWSSXLWGRW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.70
Rot. Bonds4

About 2-ethyl-3-hydroxyhexanenitrile

2-ethyl-3-hydroxyhexanenitrile (PubChem CID 79132579) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-3-hydroxyhexanenitrile.

Molecular Properties

Compound Name2-ethyl-3-hydroxyhexanenitrile
PubChem CID79132579
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-3-hydroxyhexanenitrile
SMILESCCCC(O)C(C#N)CC
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-5H2,1-2H3
InChIKeyDZFXAWSSXLWGRW-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-2-propylhexanenitrile
CID 176920962
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
2-(1-hydroxybutyl)-10-methylundecanenitrile
CID 175333216
octane-4,5-diol;hydrate
CID 141056272
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
CID 54373912
(2S)-2-hydroxypentanenitrile
CID 12548639
2,4-diethyl-3-hydroxyhexanenitrile
CID 79136880
2-[cyclopropyl(hydroxy)methyl]pentanenitrile
CID 79412769
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
2-ethyl-3-hydroxy-4,4-dimethylpentanenitrile
CID 79132496
(2S,3R)-3-methyl-2-propylhexanenitrile
CID 89095709
decane-4,5,6,7-tetrol
CID 73238857

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxyhexanenitrile?
The IUPAC name of 2-ethyl-3-hydroxyhexanenitrile (CID 79132579) is 2-ethyl-3-hydroxyhexanenitrile.
What is the SMILES notation for 2-ethyl-3-hydroxyhexanenitrile?
The canonical SMILES for 2-ethyl-3-hydroxyhexanenitrile is CCCC(O)C(C#N)CC.
What is the InChIKey of 2-ethyl-3-hydroxyhexanenitrile?
The InChIKey is DZFXAWSSXLWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxyhexanenitrile?
2-ethyl-3-hydroxyhexanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxyhexanenitrile is sourced from PubChem (CID 79132579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).