(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene

C11H14 — CID 144842164

IUPAC(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
SMILESC=CC1C=CC=C(C)[C@@H]1C=C
InChIInChI=1S/C11H14/c1-4-10-8-6-7-9(3)11(10)5-2/h4-8,10-11H,1-2H2,3H3/t10?,11-/m0/s1
InChIKeyZBTIIKYPGVPCAY-DTIOYNMSSA-N
MW146.23 g/mol
LogP3.11
Rot. Bonds2

About (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene

(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene (PubChem CID 144842164) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
PubChem CID144842164
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
SMILESC=CC1C=CC=C(C)[C@@H]1C=C
InChIInChI=1S/C11H14/c1-4-10-8-6-7-9(3)11(10)5-2/h4-8,10-11H,1-2H2,3H3/t10?,11-/m0/s1
InChIKeyZBTIIKYPGVPCAY-DTIOYNMSSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.11
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 (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene (CID 144842164) is (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene is C=CC1C=CC=C(C)[C@@H]1C=C.
What is the InChIKey of (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene?
The InChIKey is ZBTIIKYPGVPCAY-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H14/c1-4-10-8-6-7-9(3)11(10)5-2/h4-8,10-11H,1-2H2,3H3/t10?,11-/m0/s1.
What are the key properties of (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene?
(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 144842164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).