2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran

C28H38O — CID 135059026

IUPAC2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran
SMILESCC(C)(C)C1CC=C(c2oc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H38O/c1-27(2,3)21-15-11-19(12-16-21)25-23-9-7-8-10-24(23)29-26(25)20-13-17-22(18-14-20)28(4,5)6/h7-11,13,21-22H,12,14-18H2,1-6H3
InChIKeyPTBQFXZGVZLZQO-UHFFFAOYSA-N
MW390.61 g/mol
LogP8.89
Rot. Bonds2

About 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran

2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran (PubChem CID 135059026) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran.

Molecular Properties

Compound Name2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran
PubChem CID135059026
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran
SMILESCC(C)(C)C1CC=C(c2oc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H38O/c1-27(2,3)21-15-11-19(12-16-21)25-23-9-7-8-10-24(23)29-26(25)20-13-17-22(18-14-20)28(4,5)6/h7-11,13,21-22H,12,14-18H2,1-6H3
InChIKeyPTBQFXZGVZLZQO-UHFFFAOYSA-N
XLogP8.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4R)-4-tert-butylcyclohexen-1-yl]-3-chloronaphthalene-1,4-diol
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(4-tert-butylcyclohexen-1-yl)-trimethylsilane
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1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
CID 58767695
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
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1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine;hydrochloride
CID 69294772
2-(4-tert-butylcyclohexen-1-yl)ethynylbenzene
CID 13253351
1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
CID 10422561
4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene
CID 143734752
4-tert-butyl-1-methylcyclohexene;ethane
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1-bromo-4-tert-butylcyclohexene
CID 11469993
CID 59694830
CID 59694830

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran?
The IUPAC name of 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran (CID 135059026) is 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran.
What is the SMILES notation for 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran?
The canonical SMILES for 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran is CC(C)(C)C1CC=C(c2oc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran?
The InChIKey is PTBQFXZGVZLZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O/c1-27(2,3)21-15-11-19(12-16-21)25-23-9-7-8-10-24(23)29-26(25)20-13-17-22(18-14-20)28(4,5)6/h7-11,13,21-22H,12,14-18H2,1-6H3.
What are the key properties of 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran?
2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran has a molecular weight of 390.61 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran is sourced from PubChem (CID 135059026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).