(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene

C24H38 — CID 91444063

IUPAC(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C(C)(C)C)=CC(C2C=C(C(C)(C)C)C=C(C)[C@H]2C)C1C
InChIInChI=1S/C24H38/c1-15-11-19(23(5,6)7)13-21(17(15)3)22-14-20(24(8,9)10)12-16(2)18(22)4/h11-14,17-18,21-22H,1-10H3/t17-,18?,21?,22?/m1/s1
InChIKeyNNWDYTIEYQVGOW-ZZKLQANYSA-N
MW326.57 g/mol
LogP7.36
Rot. Bonds1

About (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene

(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene (PubChem CID 91444063) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene
PubChem CID91444063
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C(C)(C)C)=CC(C2C=C(C(C)(C)C)C=C(C)[C@H]2C)C1C
InChIInChI=1S/C24H38/c1-15-11-19(23(5,6)7)13-21(17(15)3)22-14-20(24(8,9)10)12-16(2)18(22)4/h11-14,17-18,21-22H,1-10H3/t17-,18?,21?,22?/m1/s1
InChIKeyNNWDYTIEYQVGOW-ZZKLQANYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene with MolForge

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Related Compounds

bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
CID 139699590
3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine
CID 167114095
1,3,5-tritert-butyl-7-(2,4,6-tritert-butylcyclohepta-2,4,6-trien-1-yl)cyclohepta-1,3,5-triene
CID 15250287
2,7-ditert-butyl-4,5-dimethyl-4H-thiepin-1-ium
CID 71329196
ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
CID 142929908
1,5-ditert-butyl-3-methylcyclohexa-3,5-diene-1,2-diamine
CID 67805187
2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene
CID 18463881
3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 155154681
2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162270932
3,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 152794150
2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59637812
3-tert-butylbicyclo[3.1.1]hepta-1,3-diene-6-carboxylic acid
CID 89281295

Frequently Asked Questions

What is the IUPAC name of (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene (CID 91444063) is (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene is CC1=CC(C(C)(C)C)=CC(C2C=C(C(C)(C)C)C=C(C)[C@H]2C)C1C.
What is the InChIKey of (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene?
The InChIKey is NNWDYTIEYQVGOW-ZZKLQANYSA-N. The full InChI is InChI=1S/C24H38/c1-15-11-19(23(5,6)7)13-21(17(15)3)22-14-20(24(8,9)10)12-16(2)18(22)4/h11-14,17-18,21-22H,1-10H3/t17-,18?,21?,22?/m1/s1.
What are the key properties of (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene?
(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene has a molecular weight of 326.57 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 91444063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).