6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C26H38 — CID 143916789

IUPAC6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESC=C(C/C=C(\C)c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CCCCC1
InChIInChI=1S/C26H38/c1-19(21-10-8-7-9-11-21)12-13-20(2)22-14-15-23-24(18-22)26(5,6)17-16-25(23,3)4/h13-15,18,21H,1,7-12,16-17H2,2-6H3/b20-13+
InChIKeyLXBJZQUMADIYHE-DEDYPNTBSA-N
MW350.59 g/mol
LogP7.97
Rot. Bonds4

About 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 143916789) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID143916789
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESC=C(C/C=C(\C)c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CCCCC1
InChIInChI=1S/C26H38/c1-19(21-10-8-7-9-11-21)12-13-20(2)22-14-15-23-24(18-22)26(5,6)17-16-25(23,3)4/h13-15,18,21H,1,7-12,16-17H2,2-6H3/b20-13+
InChIKeyLXBJZQUMADIYHE-DEDYPNTBSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.97
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 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 143916789) is 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is C=C(C/C=C(\C)c1ccc2c(c1)C(C)(C)CCC2(C)C)C1CCCCC1.
What is the InChIKey of 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is LXBJZQUMADIYHE-DEDYPNTBSA-N. The full InChI is InChI=1S/C26H38/c1-19(21-10-8-7-9-11-21)12-13-20(2)22-14-15-23-24(18-22)26(5,6)17-16-25(23,3)4/h13-15,18,21H,1,7-12,16-17H2,2-6H3/b20-13+.
What are the key properties of 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 350.59 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-5-cyclohexylhexa-2,5-dien-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 143916789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).