(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene

C15H18 — CID 157468333

IUPAC(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
SMILESC[C@@H]1CC=C(c2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C15H18/c1-12-8-10-15(11-9-13(12)2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyTUPMBCDWDWRSER-QWHCGFSZSA-N
MW198.31 g/mol
LogP4.30
Rot. Bonds1

About (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene

(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene (PubChem CID 157468333) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene.

Molecular Properties

Compound Name(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
PubChem CID157468333
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene
SMILESC[C@@H]1CC=C(c2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C15H18/c1-12-8-10-15(11-9-13(12)2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyTUPMBCDWDWRSER-QWHCGFSZSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
5-methyl-2-phenylcyclohepta-1,3-diene
CID 143994099
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 70213460
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
CID 145331638
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 143057958
[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
CID 138509773
3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide
CID 123458711
1-(4-methylcyclohexa-1,5-dien-1-yl)-3-nitrosobenzene
CID 166979676
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 139514263

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene?
The IUPAC name of (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene (CID 157468333) is (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene.
What is the SMILES notation for (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene?
The canonical SMILES for (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene is C[C@@H]1CC=C(c2ccccc2)C=C[C@@H]1C.
What is the InChIKey of (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene?
The InChIKey is TUPMBCDWDWRSER-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18/c1-12-8-10-15(11-9-13(12)2)14-6-4-3-5-7-14/h3-8,10-13H,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene?
(5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-dimethyl-2-phenylcyclohepta-1,3-diene is sourced from PubChem (CID 157468333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).