4-methylhexa-2,3-diene

C7H12 — CID 14943708

IUPAC4-methylhexa-2,3-diene
SMILESCC=C=C(C)CC
InChIInChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,5H2,1-3H3
InChIKeyPIORIMSFUKZAMT-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.52
Rot. Bonds1

About 4-methylhexa-2,3-diene

4-methylhexa-2,3-diene (PubChem CID 14943708) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 4-methylhexa-2,3-diene.

Molecular Properties

Compound Name4-methylhexa-2,3-diene
PubChem CID14943708
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name4-methylhexa-2,3-diene
SMILESCC=C=C(C)CC
InChIInChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,5H2,1-3H3
InChIKeyPIORIMSFUKZAMT-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methylhexa-2,3-diene?
The IUPAC name of 4-methylhexa-2,3-diene (CID 14943708) is 4-methylhexa-2,3-diene.
What is the SMILES notation for 4-methylhexa-2,3-diene?
The canonical SMILES for 4-methylhexa-2,3-diene is CC=C=C(C)CC.
What is the InChIKey of 4-methylhexa-2,3-diene?
The InChIKey is PIORIMSFUKZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,5H2,1-3H3.
What are the key properties of 4-methylhexa-2,3-diene?
4-methylhexa-2,3-diene has a molecular weight of 96.17 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexa-2,3-diene is sourced from PubChem (CID 14943708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).