(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene

C22H40 — CID 100951216

IUPAC(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene
SMILESCC(C)(C)C(=C/C=C/C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H40/c1-19(2,3)17(20(4,5)6)15-13-14-16-18(21(7,8)9)22(10,11)12/h13-16H,1-12H3/b14-13+
InChIKeyWVHKHHYKIJKJLI-BUHFOSPRSA-N
MW304.56 g/mol
LogP7.58
Rot. Bonds2

About (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene

(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene (PubChem CID 100951216) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene.

Molecular Properties

Compound Name(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene
PubChem CID100951216
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene
SMILESCC(C)(C)C(=C/C=C/C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H40/c1-19(2,3)17(20(4,5)6)15-13-14-16-18(21(7,8)9)22(10,11)12/h13-16H,1-12H3/b14-13+
InChIKeyWVHKHHYKIJKJLI-BUHFOSPRSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.58
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

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CID 6443791
15-cis-4,4'-Diapophytoene
CID 14019219
4,4'-Diapo-zeta-carotene
CID 11315692
4,4'-Diapophytofluene
CID 16061258
(E,E,E)-alpha-Springene
CID 5365883
Pentene, 2,4,4-trimethyl-
CID 102601787
C30 Botryococcene
CID 59053142
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
All-trans-4,4'-diapophytoene
CID 5377880
(6E,11E,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
CID 14274985
(4E,6E,8E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,18,22-nonaene
CID 101609271

Frequently Asked Questions

What is the IUPAC name of (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene?
The IUPAC name of (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene (CID 100951216) is (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene.
What is the SMILES notation for (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene?
The canonical SMILES for (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene is CC(C)(C)C(=C/C=C/C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene?
The InChIKey is WVHKHHYKIJKJLI-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H40/c1-19(2,3)17(20(4,5)6)15-13-14-16-18(21(7,8)9)22(10,11)12/h13-16H,1-12H3/b14-13+.
What are the key properties of (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene?
(5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene has a molecular weight of 304.56 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,8-ditert-butyl-2,2,9,9-tetramethyldeca-3,5,7-triene is sourced from PubChem (CID 100951216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).