5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene

C23H38 — CID 162280837

IUPAC5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1(C(C)C)C=CC=C1.CC(C)C1(C(C)C)C=CC=CC1
InChIInChI=1S/C12H20.C11H18/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-11/h5-8,10-11H,9H2,1-4H3;5-10H,1-4H3
InChIKeyUDMXQIAVYZWZBJ-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.21
Rot. Bonds4

About 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene

5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene (PubChem CID 162280837) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene
PubChem CID162280837
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1(C(C)C)C=CC=C1.CC(C)C1(C(C)C)C=CC=CC1
InChIInChI=1S/C12H20.C11H18/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-11/h5-8,10-11H,9H2,1-4H3;5-10H,1-4H3
InChIKeyUDMXQIAVYZWZBJ-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
CID 173248778
2-methyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
CID 173248812
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
CID 163995556
CID 163995556
1-tert-butylcyclohexa-2,4-dien-1-amine
CID 150805435
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033
5-(2-methylpropoxy)-5-propan-2-ylcyclohexa-1,3-diene
CID 139301707
5-chloro-5-(1-chlorocyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-diene
CID 163604967
1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol
CID 67785895
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
2-hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 70423726
(1-propan-2-ylcyclohexa-2,4-dien-1-yl) dihydrogen phosphate
CID 141098914

Frequently Asked Questions

What is the IUPAC name of 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene (CID 162280837) is 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene is CC(C)C1(C(C)C)C=CC=C1.CC(C)C1(C(C)C)C=CC=CC1.
What is the InChIKey of 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene?
The InChIKey is UDMXQIAVYZWZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C11H18/c1-10(2)12(11(3)4)8-6-5-7-9-12;1-9(2)11(10(3)4)7-5-6-8-11/h5-8,10-11H,9H2,1-4H3;5-10H,1-4H3.
What are the key properties of 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene?
5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene has a molecular weight of 314.56 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 162280837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).