5-methyl-5-prop-1-enylcyclohexa-1,3-diene

C10H14 — CID 86041546

IUPAC5-methyl-5-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1(C)C=CC=CC1
InChIInChI=1S/C10H14/c1-3-7-10(2)8-5-4-6-9-10/h3-8H,9H2,1-2H3
InChIKeyDLBWDJSQBJZAKF-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

About 5-methyl-5-prop-1-enylcyclohexa-1,3-diene

5-methyl-5-prop-1-enylcyclohexa-1,3-diene (PubChem CID 86041546) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 5-methyl-5-prop-1-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-5-prop-1-enylcyclohexa-1,3-diene
PubChem CID86041546
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name5-methyl-5-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1(C)C=CC=CC1
InChIInChI=1S/C10H14/c1-3-7-10(2)8-5-4-6-9-10/h3-8H,9H2,1-2H3
InChIKeyDLBWDJSQBJZAKF-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 5-methyl-5-prop-1-enylcyclohexa-1,3-diene?
The IUPAC name of 5-methyl-5-prop-1-enylcyclohexa-1,3-diene (CID 86041546) is 5-methyl-5-prop-1-enylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-5-prop-1-enylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-5-prop-1-enylcyclohexa-1,3-diene is CC=CC1(C)C=CC=CC1.
What is the InChIKey of 5-methyl-5-prop-1-enylcyclohexa-1,3-diene?
The InChIKey is DLBWDJSQBJZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-7-10(2)8-5-4-6-9-10/h3-8H,9H2,1-2H3.
What are the key properties of 5-methyl-5-prop-1-enylcyclohexa-1,3-diene?
5-methyl-5-prop-1-enylcyclohexa-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 5-methyl-5-prop-1-enylcyclohexa-1,3-diene is sourced from PubChem (CID 86041546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).