5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene

C18H24 — CID 150014073

IUPAC5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
SMILESCCCCC1(c2ccccc2)C=CC=C(C)C1C
InChIInChI=1S/C18H24/c1-4-5-13-18(17-11-7-6-8-12-17)14-9-10-15(2)16(18)3/h6-12,14,16H,4-5,13H2,1-3H3
InChIKeyDDWSMNQEQDIDGY-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.27
Rot. Bonds4

About 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene

5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene (PubChem CID 150014073) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
PubChem CID150014073
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
SMILESCCCCC1(c2ccccc2)C=CC=C(C)C1C
InChIInChI=1S/C18H24/c1-4-5-13-18(17-11-7-6-8-12-17)14-9-10-15(2)16(18)3/h6-12,14,16H,4-5,13H2,1-3H3
InChIKeyDDWSMNQEQDIDGY-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene?
The IUPAC name of 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene (CID 150014073) is 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene?
The canonical SMILES for 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene is CCCCC1(c2ccccc2)C=CC=C(C)C1C.
What is the InChIKey of 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene?
The InChIKey is DDWSMNQEQDIDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-4-5-13-18(17-11-7-6-8-12-17)14-9-10-15(2)16(18)3/h6-12,14,16H,4-5,13H2,1-3H3.
What are the key properties of 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene?
5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene has a molecular weight of 240.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 150014073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).