(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene

C19H24 — CID 162398047

IUPAC(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene
SMILESCC(C)C12C=CC(C)(C=C[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C19H24/c1-15(2)19-13-11-18(3,12-14-19)10-9-17(19)16-7-5-4-6-8-16/h4-11,13,15,17H,12,14H2,1-3H3/t17-,18?,19?/m1/s1
InChIKeyRIHPKCVNJXBWAH-LMDPOFIKSA-N
MW252.40 g/mol
LogP5.34
Rot. Bonds2

About (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene

(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene (PubChem CID 162398047) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene.

Molecular Properties

Compound Name(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene
PubChem CID162398047
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene
SMILESCC(C)C12C=CC(C)(C=C[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C19H24/c1-15(2)19-13-11-18(3,12-14-19)10-9-17(19)16-7-5-4-6-8-16/h4-11,13,15,17H,12,14H2,1-3H3/t17-,18?,19?/m1/s1
InChIKeyRIHPKCVNJXBWAH-LMDPOFIKSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-5-methyl-6-phenylcyclohexa-1,3-diene
CID 70549664
(1R,2S,6S,7R)-1-methyl-4-phenyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11905872
1-methyl-4-phenyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 4111172
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
CID 90206365
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine
CID 141096612
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
CID 90197722
1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone
CID 14710394
4-[3,5-bis[[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]oxy]phenoxy]-2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidine
CID 121244701
(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione
CID 102043649
1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 15180746

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene?
The IUPAC name of (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene (CID 162398047) is (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene.
What is the SMILES notation for (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene?
The canonical SMILES for (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene is CC(C)C12C=CC(C)(C=C[C@@H]1c1ccccc1)CC2.
What is the InChIKey of (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene?
The InChIKey is RIHPKCVNJXBWAH-LMDPOFIKSA-N. The full InChI is InChI=1S/C19H24/c1-15(2)19-13-11-18(3,12-14-19)10-9-17(19)16-7-5-4-6-8-16/h4-11,13,15,17H,12,14H2,1-3H3/t17-,18?,19?/m1/s1.
What are the key properties of (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene?
(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene has a molecular weight of 252.40 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene is sourced from PubChem (CID 162398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).