(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene

C15H24 — CID 162895919

IUPAC(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
SMILESCC1=CC[C@H]([C@@]2(C)CCCC2(C)C)C=C1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-8,13H,5,9-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyWVRVMHCZDFFAFB-UKRRQHHQSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene

(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene (PubChem CID 162895919) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
PubChem CID162895919
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
SMILESCC1=CC[C@H]([C@@]2(C)CCCC2(C)C)C=C1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-8,13H,5,9-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyWVRVMHCZDFFAFB-UKRRQHHQSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 135293078
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 154528812
4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 18387156
4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene
CID 91526824
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
(1R,4S,7R)-5-methyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-2,3-dioxabicyclo[2.2.2]oct-5-ene
CID 15372999
1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene
CID 67647115
5-(3,3-dimethylbutan-2-yl)-2-methylcyclohexa-1,3-diene
CID 157406812
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene?
The IUPAC name of (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene (CID 162895919) is (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene.
What is the SMILES notation for (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene?
The canonical SMILES for (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene is CC1=CC[C@H]([C@@]2(C)CCCC2(C)C)C=C1.
What is the InChIKey of (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene?
The InChIKey is WVRVMHCZDFFAFB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-8,13H,5,9-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene?
(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene is sourced from PubChem (CID 162895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).