3,4-dimethylpent-2-ene

C7H13+ — CID 90902952

IUPAC3,4-dimethylpent-2-ene
SMILESC/[C+]=C(\C)C(C)C
InChIInChI=1S/C7H13/c1-5-7(4)6(2)3/h6H,1-4H3/q+1
InChIKeyZHAVZSKCOSNYFR-UHFFFAOYSA-N
MW97.18 g/mol
LogP2.41
Rot. Bonds1

About 3,4-dimethylpent-2-ene

3,4-dimethylpent-2-ene (PubChem CID 90902952) has the molecular formula C7H13+ and a molecular weight of 97.18 g/mol. Its IUPAC name is 3,4-dimethylpent-2-ene.

Molecular Properties

Compound Name3,4-dimethylpent-2-ene
PubChem CID90902952
Molecular FormulaC7H13+
Molecular Weight97.18 g/mol
Exact Mass97.10
IUPAC Name3,4-dimethylpent-2-ene
SMILESC/[C+]=C(\C)C(C)C
InChIInChI=1S/C7H13/c1-5-7(4)6(2)3/h6H,1-4H3/q+1
InChIKeyZHAVZSKCOSNYFR-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.18
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-2-ene?
The IUPAC name of 3,4-dimethylpent-2-ene (CID 90902952) is 3,4-dimethylpent-2-ene.
What is the SMILES notation for 3,4-dimethylpent-2-ene?
The canonical SMILES for 3,4-dimethylpent-2-ene is C/[C+]=C(\C)C(C)C.
What is the InChIKey of 3,4-dimethylpent-2-ene?
The InChIKey is ZHAVZSKCOSNYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13/c1-5-7(4)6(2)3/h6H,1-4H3/q+1.
What are the key properties of 3,4-dimethylpent-2-ene?
3,4-dimethylpent-2-ene has a molecular weight of 97.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-2-ene is sourced from PubChem (CID 90902952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).