2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene

C17H24 — CID 143829867

IUPAC2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene
SMILESC=C(/C=C\C=C/C)C1=CCCC=C1C(C)(C)C
InChIInChI=1S/C17H24/c1-6-7-8-11-14(2)15-12-9-10-13-16(15)17(3,4)5/h6-8,11-13H,2,9-10H2,1,3-5H3/b7-6-,11-8-
InChIKeyDOWHKKCXAFELPV-NJMVCRMVSA-N
MW228.38 g/mol
LogP5.37
Rot. Bonds3

About 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene

2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene (PubChem CID 143829867) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene
PubChem CID143829867
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene
SMILESC=C(/C=C\C=C/C)C1=CCCC=C1C(C)(C)C
InChIInChI=1S/C17H24/c1-6-7-8-11-14(2)15-12-9-10-13-16(15)17(3,4)5/h6-8,11-13H,2,9-10H2,1,3-5H3/b7-6-,11-8-
InChIKeyDOWHKKCXAFELPV-NJMVCRMVSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene (CID 143829867) is 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene is C=C(/C=C\C=C/C)C1=CCCC=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene?
The InChIKey is DOWHKKCXAFELPV-NJMVCRMVSA-N. The full InChI is InChI=1S/C17H24/c1-6-7-8-11-14(2)15-12-9-10-13-16(15)17(3,4)5/h6-8,11-13H,2,9-10H2,1,3-5H3/b7-6-,11-8-.
What are the key properties of 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene?
2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 143829867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).