2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene

C10H14 — CID 527424

IUPAC2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1C=CC(C)=CC1
InChIInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3
InChIKeyNJLNIOKPXKKALD-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene

2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 527424) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID527424
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1C=CC(C)=CC1
InChIInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3
InChIKeyNJLNIOKPXKKALD-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene (CID 527424) is 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1C=CC(C)=CC1.
What is the InChIKey of 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is NJLNIOKPXKKALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene?
2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).