[(3E)-3-tert-butylpenta-1,3-dienyl]benzene

C15H20 — CID 144969758

IUPAC[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
SMILESC/C=C(\C=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20/c1-5-14(15(2,3)4)12-11-13-9-7-6-8-10-13/h5-12H,1-4H3/b12-11?,14-5+
InChIKeySPXMNBPABQGZDL-INIMAIMYSA-N
MW200.32 g/mol
LogP4.69
Rot. Bonds2

About [(3E)-3-tert-butylpenta-1,3-dienyl]benzene

[(3E)-3-tert-butylpenta-1,3-dienyl]benzene (PubChem CID 144969758) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is [(3E)-3-tert-butylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
PubChem CID144969758
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
SMILESC/C=C(\C=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20/c1-5-14(15(2,3)4)12-11-13-9-7-6-8-10-13/h5-12H,1-4H3/b12-11?,14-5+
InChIKeySPXMNBPABQGZDL-INIMAIMYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 10015927
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
CID 11723731
(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 11777882
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
(1E,4E)-N-[(E)-but-2-en-2-yl]-1,5-diphenylpenta-1,4-dien-3-imine oxide
CID 134846081
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
5-amino-2,2-dimethyl-7-phenylhepta-4,6-dien-3-one
CID 2832876
2,2-dimethylpropanoate;[(E)-prop-1-enyl]benzene;zinc
CID 122206574
(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
2-tert-butyl-4-phenylbuta-1,3-dien-1-one;carbon monoxide;iron
CID 85358331
(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
CID 10584199

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-tert-butylpenta-1,3-dienyl]benzene?
The IUPAC name of [(3E)-3-tert-butylpenta-1,3-dienyl]benzene (CID 144969758) is [(3E)-3-tert-butylpenta-1,3-dienyl]benzene.
What is the SMILES notation for [(3E)-3-tert-butylpenta-1,3-dienyl]benzene?
The canonical SMILES for [(3E)-3-tert-butylpenta-1,3-dienyl]benzene is C/C=C(\C=Cc1ccccc1)C(C)(C)C.
What is the InChIKey of [(3E)-3-tert-butylpenta-1,3-dienyl]benzene?
The InChIKey is SPXMNBPABQGZDL-INIMAIMYSA-N. The full InChI is InChI=1S/C15H20/c1-5-14(15(2,3)4)12-11-13-9-7-6-8-10-13/h5-12H,1-4H3/b12-11?,14-5+.
What are the key properties of [(3E)-3-tert-butylpenta-1,3-dienyl]benzene?
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene has a molecular weight of 200.32 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-tert-butylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 144969758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).