(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C21H26 — CID 142615048

IUPAC(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C3=CC=CC[C@H]3C)[C@@H](C)C2)CC1
InChIInChI=1S/C21H26/c1-15-8-10-18(11-9-15)19-12-13-21(17(3)14-19)20-7-5-4-6-16(20)2/h4-5,7-8,10,12-13,16-17H,6,9,11,14H2,1-3H3/t16-,17+/m1/s1
InChIKeyREGNHAHNZXQLDG-SJORKVTESA-N
MW278.44 g/mol
LogP6.07
Rot. Bonds2

About (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 142615048) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID142615048
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C3=CC=CC[C@H]3C)[C@@H](C)C2)CC1
InChIInChI=1S/C21H26/c1-15-8-10-18(11-9-15)19-12-13-21(17(3)14-19)20-7-5-4-6-16(20)2/h4-5,7-8,10,12-13,16-17H,6,9,11,14H2,1-3H3/t16-,17+/m1/s1
InChIKeyREGNHAHNZXQLDG-SJORKVTESA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene with MolForge

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Related Compounds

1-methyl-4-[(Z)-2-[5-methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]benzene
CID 142012376
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
5-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-diene-1-carboxylic acid
CID 123761342
3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
CID 143707425
CID 143958487
CID 143958487
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine
CID 146587176
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 142615048) is (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is CC1=CC=C(C2=CC=C(C3=CC=CC[C@H]3C)[C@@H](C)C2)CC1.
What is the InChIKey of (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is REGNHAHNZXQLDG-SJORKVTESA-N. The full InChI is InChI=1S/C21H26/c1-15-8-10-18(11-9-15)19-12-13-21(17(3)14-19)20-7-5-4-6-16(20)2/h4-5,7-8,10,12-13,16-17H,6,9,11,14H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 278.44 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 142615048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).