[(3R)-3-methyl-1-phenyldec-1-enyl]benzene

C23H30 — CID 101447550

IUPAC[(3R)-3-methyl-1-phenyldec-1-enyl]benzene
SMILESCCCCCCC[C@@H](C)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30/c1-3-4-5-6-9-14-20(2)19-23(21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,3-6,9,14H2,1-2H3/t20-/m1/s1
InChIKeyOJNXZAUZFVRCSN-HXUWFJFHSA-N
MW306.49 g/mol
LogP7.11
Rot. Bonds9

About [(3R)-3-methyl-1-phenyldec-1-enyl]benzene

[(3R)-3-methyl-1-phenyldec-1-enyl]benzene (PubChem CID 101447550) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is [(3R)-3-methyl-1-phenyldec-1-enyl]benzene.

Molecular Properties

Compound Name[(3R)-3-methyl-1-phenyldec-1-enyl]benzene
PubChem CID101447550
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name[(3R)-3-methyl-1-phenyldec-1-enyl]benzene
SMILESCCCCCCC[C@@H](C)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30/c1-3-4-5-6-9-14-20(2)19-23(21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,3-6,9,14H2,1-2H3/t20-/m1/s1
InChIKeyOJNXZAUZFVRCSN-HXUWFJFHSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-methyl-1-phenylnon-2-en-1-one
CID 102273779
2,4-dimethyldec-2-ene
CID 522542
octyl 3,3-diphenylprop-2-enedithioate
CID 102189607
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-phenyldecanethial
CID 141351719
2-phenylnonanethial
CID 141351724
1,1-dibromo-3-methylnon-1-ene
CID 135202124
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
(1R)-1-phenyloctan-1-ol
CID 12794259
dodecane;phenol
CID 157210063
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-pentyl-1-phenylheptan-1-one
CID 67882345

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1-phenyldec-1-enyl]benzene?
The IUPAC name of [(3R)-3-methyl-1-phenyldec-1-enyl]benzene (CID 101447550) is [(3R)-3-methyl-1-phenyldec-1-enyl]benzene.
What is the SMILES notation for [(3R)-3-methyl-1-phenyldec-1-enyl]benzene?
The canonical SMILES for [(3R)-3-methyl-1-phenyldec-1-enyl]benzene is CCCCCCC[C@@H](C)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-3-methyl-1-phenyldec-1-enyl]benzene?
The InChIKey is OJNXZAUZFVRCSN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30/c1-3-4-5-6-9-14-20(2)19-23(21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,3-6,9,14H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-3-methyl-1-phenyldec-1-enyl]benzene?
[(3R)-3-methyl-1-phenyldec-1-enyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1-phenyldec-1-enyl]benzene is sourced from PubChem (CID 101447550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).