2-methanidyl-5-methylhexa-1,5-diene

C8H12 — CID 58948056

IUPAC2-methanidyl-5-methylhexa-1,5-diene
SMILESC=C([CH2+])CCC(=C)[CH2-]
InChIInChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-6H2
InChIKeyHRSCZAMOCJLAAY-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.55
Rot. Bonds3

About 2-methanidyl-5-methylhexa-1,5-diene

2-methanidyl-5-methylhexa-1,5-diene (PubChem CID 58948056) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-methanidyl-5-methylhexa-1,5-diene.

Molecular Properties

Compound Name2-methanidyl-5-methylhexa-1,5-diene
PubChem CID58948056
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-methanidyl-5-methylhexa-1,5-diene
SMILESC=C([CH2+])CCC(=C)[CH2-]
InChIInChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-6H2
InChIKeyHRSCZAMOCJLAAY-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylbut-3-ene-1-thiol
CID 135993201
magnesium;2-methanidylhexa-1,5-diene;chloride
CID 13072713
2-methanidylprop-1-ene
CID 102023417
magnesium;2-methanidylprop-2-en-1-ol;bromide
CID 11148029
magnesium;2-methanidylbut-1-ene;bromide
CID 10888403
3-chloro-2-methanidylprop-1-ene;ethanol;titanium
CID 174484856
2-methanidylprop-1-ene;nickel
CID 173298029
2-methanidylprop-1-ene;palladium(2+);tri(propan-2-yl)phosphane;acetate
CID 22335976
CID 177462464
CID 177462464
2-methylprop-2-enenitrile
CID 86246555
4,5-dimethylideneoctane
CID 13294231
2-methyl-N-(2-methylprop-2-enoyl)-N-(3-methylsulfanylpropanoyl)prop-2-enamide
CID 139970761

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-5-methylhexa-1,5-diene?
The IUPAC name of 2-methanidyl-5-methylhexa-1,5-diene (CID 58948056) is 2-methanidyl-5-methylhexa-1,5-diene.
What is the SMILES notation for 2-methanidyl-5-methylhexa-1,5-diene?
The canonical SMILES for 2-methanidyl-5-methylhexa-1,5-diene is C=C([CH2+])CCC(=C)[CH2-].
What is the InChIKey of 2-methanidyl-5-methylhexa-1,5-diene?
The InChIKey is HRSCZAMOCJLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-6H2.
What are the key properties of 2-methanidyl-5-methylhexa-1,5-diene?
2-methanidyl-5-methylhexa-1,5-diene has a molecular weight of 108.18 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-5-methylhexa-1,5-diene is sourced from PubChem (CID 58948056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).