(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile

C10H17NO — CID 134862013

IUPAC(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile
SMILESC=CC[C@@H](O)[C@H](CC)CCC#N
InChIInChI=1S/C10H17NO/c1-3-6-10(12)9(4-2)7-5-8-11/h3,9-10,12H,1,4-7H2,2H3/t9-,10-/m1/s1
InChIKeyDWYOMDYLELAOAD-NXEZZACHSA-N
MW167.25 g/mol
LogP2.25
Rot. Bonds6

About (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile

(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile (PubChem CID 134862013) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile
PubChem CID134862013
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile
SMILESC=CC[C@@H](O)[C@H](CC)CCC#N
InChIInChI=1S/C10H17NO/c1-3-6-10(12)9(4-2)7-5-8-11/h3,9-10,12H,1,4-7H2,2H3/t9-,10-/m1/s1
InChIKeyDWYOMDYLELAOAD-NXEZZACHSA-N
XLogP2.25
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile?
The IUPAC name of (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile (CID 134862013) is (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile.
What is the SMILES notation for (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile?
The canonical SMILES for (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile is C=CC[C@@H](O)[C@H](CC)CCC#N.
What is the InChIKey of (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile?
The InChIKey is DWYOMDYLELAOAD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-10(12)9(4-2)7-5-8-11/h3,9-10,12H,1,4-7H2,2H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile?
(4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-5-hydroxyoct-7-enenitrile is sourced from PubChem (CID 134862013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).