2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene

C17H24 — CID 163777121

IUPAC2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
SMILESCC1=CCC(C(C)(C)C2=CC[C@@H](C)C=C2)C=C1
InChIInChI=1S/C17H24/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5-7,9,11-12,14-15H,8,10H2,1-4H3/t14-,15?/m0/s1
InChIKeyMLKXGPAZFSQNFG-MLCCFXAWSA-N
MW228.38 g/mol
LogP5.06
Rot. Bonds2

About 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene

2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene (PubChem CID 163777121) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
PubChem CID163777121
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
SMILESCC1=CCC(C(C)(C)C2=CC[C@@H](C)C=C2)C=C1
InChIInChI=1S/C17H24/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5-7,9,11-12,14-15H,8,10H2,1-4H3/t14-,15?/m0/s1
InChIKeyMLKXGPAZFSQNFG-MLCCFXAWSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
CID 163761280
2,4-dimethyl-4-(4-methylcyclohexa-2,4-dien-1-yl)pentan-2-amine
CID 70331289
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
(2S)-2,3-dimethyl-2-(4-methylcyclohexa-2,4-dien-1-yl)butanedioic acid
CID 71199450
5-(3,3-dimethylbutan-2-yl)-2-methylcyclohexa-1,3-diene
CID 157406812
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
(5S)-2-(2,4-dimethylpentan-2-yl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70946946
acetaldehyde;2,5-dimethylcyclohexa-1,3-diene;methyl-(4-methylphenyl)-diphenyl-λ4-sulfane;toluene
CID 143445233
2-methyl-5-(trifluoromethyl)cyclohepta-1,3-diene
CID 131983395
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene (CID 163777121) is 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene is CC1=CCC(C(C)(C)C2=CC[C@@H](C)C=C2)C=C1.
What is the InChIKey of 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene?
The InChIKey is MLKXGPAZFSQNFG-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H24/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5-7,9,11-12,14-15H,8,10H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene?
2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 163777121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).