(3R,7R)-3,7-dimethylnon-5-enenitrile

C11H19N — CID 91063106

IUPAC(3R,7R)-3,7-dimethylnon-5-enenitrile
SMILESCC[C@@H](C)C=CC[C@@H](C)CC#N
InChIInChI=1S/C11H19N/c1-4-10(2)6-5-7-11(3)8-9-12/h5-6,10-11H,4,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyQCMOOGNHIVZPSJ-GHMZBOCLSA-N
MW165.28 g/mol
LogP3.53
Rot. Bonds5

About (3R,7R)-3,7-dimethylnon-5-enenitrile

(3R,7R)-3,7-dimethylnon-5-enenitrile (PubChem CID 91063106) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3R,7R)-3,7-dimethylnon-5-enenitrile.

Molecular Properties

Compound Name(3R,7R)-3,7-dimethylnon-5-enenitrile
PubChem CID91063106
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3R,7R)-3,7-dimethylnon-5-enenitrile
SMILESCC[C@@H](C)C=CC[C@@H](C)CC#N
InChIInChI=1S/C11H19N/c1-4-10(2)6-5-7-11(3)8-9-12/h5-6,10-11H,4,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyQCMOOGNHIVZPSJ-GHMZBOCLSA-N
XLogP3.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methylhept-5-enenitrile
CID 88850435
3,7-dimethyloct-4-enenitrile
CID 154194625
(3S)-3-methylhex-5-enenitrile
CID 139905657
3,7,8-trimethylnon-4-ene
CID 91465939
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
(E)-4-methylhex-2-en-1-ol
CID 12036147
7-methylnon-4-enenitrile
CID 123692329
(Z)-1,1,1-trifluoro-5-methylhept-3-ene
CID 154518878
(E,5R)-5-methylhept-3-enoic acid
CID 11636814
3-methyl-4-sulfanylbutanenitrile
CID 57098048

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3,7-dimethylnon-5-enenitrile?
The IUPAC name of (3R,7R)-3,7-dimethylnon-5-enenitrile (CID 91063106) is (3R,7R)-3,7-dimethylnon-5-enenitrile.
What is the SMILES notation for (3R,7R)-3,7-dimethylnon-5-enenitrile?
The canonical SMILES for (3R,7R)-3,7-dimethylnon-5-enenitrile is CC[C@@H](C)C=CC[C@@H](C)CC#N.
What is the InChIKey of (3R,7R)-3,7-dimethylnon-5-enenitrile?
The InChIKey is QCMOOGNHIVZPSJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(2)6-5-7-11(3)8-9-12/h5-6,10-11H,4,7-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (3R,7R)-3,7-dimethylnon-5-enenitrile?
(3R,7R)-3,7-dimethylnon-5-enenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3,7-dimethylnon-5-enenitrile is sourced from PubChem (CID 91063106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).