5-isocyano-2,5-dimethylhex-2-ene

C9H15N — CID 59350160

IUPAC5-isocyano-2,5-dimethylhex-2-ene
SMILES[C-]#[N+]C(C)(C)CC=C(C)C
InChIInChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-4H3
InChIKeyFLYUGEZOQFUPJP-UHFFFAOYSA-N
MW137.23 g/mol
LogP3.04
Rot. Bonds2

About 5-isocyano-2,5-dimethylhex-2-ene

5-isocyano-2,5-dimethylhex-2-ene (PubChem CID 59350160) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-isocyano-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name5-isocyano-2,5-dimethylhex-2-ene
PubChem CID59350160
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-isocyano-2,5-dimethylhex-2-ene
SMILES[C-]#[N+]C(C)(C)CC=C(C)C
InChIInChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-4H3
InChIKeyFLYUGEZOQFUPJP-UHFFFAOYSA-N
XLogP3.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
6-isocyano-2,6,7-trimethyloct-2-ene
CID 123535412
(2E)-3,4,4,7-tetramethylocta-2,6-dienal
CID 12813408
3,3,6-trimethylhept-5-en-1-ol
CID 20504089
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
CID 101113458
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
(Z)-2,2,4,7,7-pentamethyloct-4-ene;(E)-2,2,4,7,7-pentamethyloct-4-ene;2,5,5-trimethylhex-2-ene
CID 158213793
3,6-dimethylhept-5-en-1-yn-3-ol
CID 154089288
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2,5-dimethylhex-2-ene?
The IUPAC name of 5-isocyano-2,5-dimethylhex-2-ene (CID 59350160) is 5-isocyano-2,5-dimethylhex-2-ene.
What is the SMILES notation for 5-isocyano-2,5-dimethylhex-2-ene?
The canonical SMILES for 5-isocyano-2,5-dimethylhex-2-ene is [C-]#[N+]C(C)(C)CC=C(C)C.
What is the InChIKey of 5-isocyano-2,5-dimethylhex-2-ene?
The InChIKey is FLYUGEZOQFUPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)6-7-9(3,4)10-5/h6H,7H2,1-4H3.
What are the key properties of 5-isocyano-2,5-dimethylhex-2-ene?
5-isocyano-2,5-dimethylhex-2-ene has a molecular weight of 137.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2,5-dimethylhex-2-ene is sourced from PubChem (CID 59350160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).