2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene

C16H24 — CID 142950691

IUPAC2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC(CC=C(C)C)CC1=CCC(C)C=C1
InChIInChI=1S/C16H24/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-7,10-11,14-15H,1,8-9,12H2,2-4H3
InChIKeyBRQMHJPAXZSFDN-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.06
Rot. Bonds5

About 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene

2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene (PubChem CID 142950691) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene
PubChem CID142950691
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC(CC=C(C)C)CC1=CCC(C)C=C1
InChIInChI=1S/C16H24/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-7,10-11,14-15H,1,8-9,12H2,2-4H3
InChIKeyBRQMHJPAXZSFDN-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.06
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-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene (CID 142950691) is 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene is C=CC(CC=C(C)C)CC1=CCC(C)C=C1.
What is the InChIKey of 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is BRQMHJPAXZSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-7,10-11,14-15H,1,8-9,12H2,2-4H3.
What are the key properties of 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene?
2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 216.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142950691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).