1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene

C12H14 — CID 153393902

IUPAC1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
SMILESC1=CCCC([C@@H]2C=CC=CC2)=C1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1
InChIKeyXYQOCPPODVAVRC-LLVKDONJSA-N
MW158.24 g/mol
LogP3.40
Rot. Bonds1

About 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene

1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 153393902) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
PubChem CID153393902
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
SMILESC1=CCCC([C@@H]2C=CC=CC2)=C1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1
InChIKeyXYQOCPPODVAVRC-LLVKDONJSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
CID 89153783
1,2,3,4,5,5a-hexahydroheptalene
CID 91574943
1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
CID 101147961
4-cyclohexa-1,3-dien-1-yl-7-cyclohexa-2,4-dien-1-yl-1,10-phenanthroline
CID 153049582
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
1,2,3,3a-tetrahydropentalene;ethane
CID 91210695
2-sulfonyl-4a,5-dihydro-1H-naphthalene
CID 54064259
2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine
CID 90918343
2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
CID 135218026
4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
CID 178055178
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782
5-cyclohexa-1,3-dien-1-yl-3-cyclohex-2-en-1-yl-1-iodocyclohexa-1,3-diene
CID 70994227

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene (CID 153393902) is 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene is C1=CCCC([C@@H]2C=CC=CC2)=C1.
What is the InChIKey of 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is XYQOCPPODVAVRC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7,9,11H,6,8,10H2/t11-/m1/s1.
What are the key properties of 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene?
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 153393902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).