1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene

C20H30O — CID 22555659

IUPAC1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene
SMILESCCOC1(C(C)(C)C2=CCC=C2)CC=CC=C1C(C)(C)C
InChIInChI=1S/C20H30O/c1-7-21-20(19(5,6)16-12-8-9-13-16)15-11-10-14-17(20)18(2,3)4/h8,10-14H,7,9,15H2,1-6H3
InChIKeyFQHWFEZLXQXTRP-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.61
Rot. Bonds4

About 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene

1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene (PubChem CID 22555659) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene
PubChem CID22555659
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene
SMILESCCOC1(C(C)(C)C2=CCC=C2)CC=CC=C1C(C)(C)C
InChIInChI=1S/C20H30O/c1-7-21-20(19(5,6)16-12-8-9-13-16)15-11-10-14-17(20)18(2,3)4/h8,10-14H,7,9,15H2,1-6H3
InChIKeyFQHWFEZLXQXTRP-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene with MolForge

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Related Compounds

6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene
CID 22555355
1-tert-butyl-6-(cyclopenta-1,4-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene
CID 22555422
cyclopenta-1,4-dien-1-yl-(1-ethoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane
CID 22555509
6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethyl-6-propan-2-yloxycyclohexa-1,3-diene
CID 22555731
1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methyl-6-propan-2-ylsulfanylcyclohexa-1,3-diene
CID 22555383
2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
CID 87993482
6-butoxy-1-tert-butyl-6-cyclopenta-1,4-dien-1-yloxy-3-methylcyclohexa-1,3-diene
CID 87976222
6-butoxy-6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methylcyclohexa-1,3-diene
CID 87977660
5-cyclopenta-1,4-dien-1-yl-5-methylhexan-3-one
CID 101438715
4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
CID 70440356
carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
CID 21052043

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene?
The IUPAC name of 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene (CID 22555659) is 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene is CCOC1(C(C)(C)C2=CCC=C2)CC=CC=C1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene?
The InChIKey is FQHWFEZLXQXTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-7-21-20(19(5,6)16-12-8-9-13-16)15-11-10-14-17(20)18(2,3)4/h8,10-14H,7,9,15H2,1-6H3.
What are the key properties of 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene?
1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene has a molecular weight of 286.46 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 22555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).